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67-63-0

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67-63-0 Usage

Chemical Description

Different sources of media describe the Chemical Description of 67-63-0 differently. You can refer to the following data:
1. Isopropanol, also known as rubbing alcohol, is a colorless, flammable liquid used as a solvent and disinfectant.
2. Isopropanol is a solvent used in chiral HPLC.

description

Isopropanol is also known as isopropyl alcohol. It is the simplest secondary alcohol and is one of the isomers of n-propanol. It is a kind of flammable liquid which is colorless with strong smell being similar to the smell of the mixture of ethanol and acetone. It is soluble in water, alcohol, ether, benzene, chloroform and most organic solvents and is miscible with water, alcohol, ether and can form azeotrope with water. Density (specific gravity): 0.7863g/cm3, melting point:-88.5 ℃, boiling point: 82.5 ℃, flash point: 11.7 ℃, ignition point: 460 ℃, refractive index: 1.3772. Its vapor can cause slight irritation on the eyes, nose and throat; it can be absorbed through the skin. Its vapor can form explosive mixture with air. Its explosion limit is 2.0% to 12% (by volume). It belongs to a moderate explosive hazardous material and flammable, low toxic substance. The toxicity of its vapors is twice as high as ethanol while oral administration causes the opposite toxicity. Figure 1 is the structural formula of isopropanol. In many cases, isopropanol can substitute ethanol as the solvent and is a good solvent and chemical raw materials which can be applied to not only painting, pharmaceuticals, pesticides, cosmetics and other industries, but also the production of acetone, isopropyl ester, isopropylamine (the raw material for production of atrazine), di-isopropyl ether, isopropyl acetate and thymol crystal etc. It was the first product which is made from the petroleum raw material in the history of the development of petrochemicals.

Production Process

In 1855, Frenchman M. Berthelot first reported the production of isopropanol through the hydration reaction between propylene and sulfuric acid, called indirect hydration. In 1919, the Americans C. Ellis had conducted industrial development on this. At the end of 1920, the American Standard Oil Company of New Jersey adopted the approach of Ellis Act and established the production equipment for putting into formal production. In 1951, the British company Imperial Chemical Industries began to produce isopropanol with the direct hydration method from propylene. Since then, many countries have used this method and made related improvements. Indirect hydration reaction: propylene is first reacted with sulfuric acid to obtain isopropyl hydrogen sulfate, which generates isopropanol after hydrolysis, and the reaction of the formula: CH3CH = CH2 + H2SO4 → (CH3) 2CHOSO3H (CH3) 2CHOSO3H + H2O─ → (CH3) 2CHOH + H2SO4 the concentration of the applied sulfuric acid is generally greater than 60% (by mass), and the reaction is conducted at 2~2.8MPa and 60~65 ° C; The hydrolysis reaction happens at slight increased pressure and at below 30 ° C. Direct hydration: propylene directly has hydration reaction with water in the presence of a catalyst upon heating and increased pressure to generate isopropanol with a selectivity of 96%. Reaction is: CH3CH = CH2 + H2O → (CH3) 2CHOH; the used catalyst includes tungsten compound, phosphate and ion exchange resin; the commonly used catalyst is phosphoric acid catalyst with carrier (see solid acid catalyst) with conditions of 2~6MPa, 240~260 ° C. Compared with the indirect method, this method does not have issue regarding to sulfuric acid corrosion and dilute acid concentration and therefore, it dominant in industrial production. The above information is edited by the lookchem of Dai Xiongfeng.

Uses

Different sources of media describe the Uses of 67-63-0 differently. You can refer to the following data:
1. Isopropyl alcohol is an important chemical products and raw materials. It is mainly applied to various fields including pharmaceutical, cosmetics, plastics, fragrances, paint as well as being used as the dehydrating agent and cleaning agent in and electronics industry. It can also be used as the reagent for determination of barium, calcium, magnesium, nickel, potassium, sodium and strontium. It can also be used as the reference material of chromatographic analysis. In the manufacturing industry of circuit board, it is used as a cleaning agent, and the production of PCB holes for conductivity. Many people find that it can not only clean the motherboard with excellent performance, but also get the best results. In addition, it is used for other electronic devices, including cleaning disc cartridge, floppy disk drives, magnetic tape, and the laser tip of the disc driver of CD or DVD player. Isopropyl alcohol can also be used as the solvent of oil and gel as well as for the manufacture of fishmeal feed concentrate. Low-quality isopropanol can also be used in automotive fuels. As the raw material of production of acetone, the usage amount of isopropanol is reducing. There are several compounds which are synthesized from isopropanol, such as isopropyl ester, methyl isobutyl ketone, di-isopropylamine, di-isopropyl ether, isopropyl acetate, thymol and many kinds of esters. We can supply isopropanol of different quality depending on the end use it. The conventional quality of anhydrous isopropanol is more than 99%, while the special grade isopropanol content is higher than 99.8% (for flavors and drugs).
2. Isopropyl alcohol is used in the production of acetone, isopropyl halides, glycerin, and aluminum isopropoxide; employed widely as an industrial solvent for paints, polishes, and insecticides; as an antiseptic (rubbing alcohol); and in organic synthesis for introducing the isopropyl or isopropoxy group into the molecule. Being a common laboratory solvent like methanol, the exposure risks are always high; however, its toxicity is comparatively low.

Toxicity

ADI value is not specified (FAO/WHO, 2001). LD5050: 45rag/kg (rat, oral).

Limited use

FEMA (mg/kg): soft drinks: 25; sweets: 10 to 75; baked good: 75.

Description

Isopropanol is a clear, colorless alcohol that is used in the production of acetone and as a solvent in the manufacture of various industrial and commercial products. It is used by the public for a number of different purposes and is commonly known as rubbing alcohol. It is flammable and miscible with both water and many different organic solvents. Isopropanol can be prepared via three different methods: indirect hydration of propylene (the ‘strong acid’ method), direct hydration of propylene, and catalytic hydrogenation of acetone.

Chemical Properties

Isopropyl alcohol is a clear, colorless, mobile, volatile, flammable liquid with a characteristic, spirituous odor resembling that of a mixture of ethanol and acetone; it has a slightly bitter taste.It is miscible with water, ethyl ether, and ethyl alcohol. Isopropyl alcohol is incompatible with strong oxidizers, acetaldehyde, chlorine, ethylene oxide, acids, and isocyanates.

Occurrence

Reported found in apple and cognac aromas (esterified). Also found in apple, banana, grapefruit and lime juice, melon, papaya, pear, onion, peas, rutabaga, tomato, wheat bread, cheeses, milk, boiled egg, cooked beef, pork and mutton, hop oil beer, rum, cocoa, coffee, scotch whiskey, grape wines, peanut, pecan, soybean, honey, beans, plum brandy, walnut, crab, clam, prickly pear and clary sage.

Preparation

Isopropyl alcohol may be prepared from propylene; by the catalytic reduction of acetone, or by fermentation of certain carbohydrates.

Definition

ChEBI: Isopropyl Alcohol is a secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. It is an isomer of propyl alcohol with antibacterial properties.

Application

Isopropyl Alcohol is used in a variety of applications including as a solvent for industrial processes and coating; as a component in cleaning, car care and deicing products; as a wetting agent for printing inks and as a feedstock in the manufacture of ester and Mogas/Luboil additives.isopropyl alcohol is a carrier, anti-bacterial, and solvent for skin care lotions. Isopropyl alcohol is made from propylene, a petroleum derivative.When compared to ethanol, 50% less is required for nucleic acid precipitation, thus minimizing the total volume to be centrifuged for DNA or RNA recovery.Isopropyl alcohol 70% is used as an ingredient in alcohol swabs and alcohol wipes for wound cleaning, it is found in hand sanitizers, and in ear drops to prevent swimmer's ear.

Aroma threshold values

Detection: 40 to 601 ppm

General Description

Volatile, colorless liquid with a sharp musty odor like rubbing alcohol. Flash point of 53°F. Vapors are heavier than air and mildly irritating to the eyes, nose, and throat. Density approximately 6.5 lb / gal. Used in making cosmetics, skin and hair preparations, pharmaceuticals, perfumes, lacquer formulations, dye solutions, antifreezes, soaps, window cleaners. Sold in 70% aqueous solution as rubbing alcohol.

Air & Water Reactions

Highly flammable. Water soluble.

Reactivity Profile

Isopropyl Alcohol can react with AIR and OXYGEN over time to form unstable peroxides that can explode. Contact with 2-butanone increases the rate of peroxide formation. An explosive reaction occurs when Isopropanol is heated with (aluminum isopropoxide + crotonaldehyde). Forms explosive mixtures with trinitromethane and hydrogen peroxide. Reacts with barium perchlorate to form a highly explosive compound. Ignites on contact with dioxygenyl tetrafluoroborate, chromium trioxide and potassium-tert-butoxide. Vigorous reactions occur with (hydrogen + palladium), nitroform, oleum, COCl2, aluminum triisopropoxide and oxidizing agents. Reacts explosively with phosgene in the presence of iron salts. Incompatible with acids, acid anhydrides, halogens and aluminum . Isopropanol can react with PCl3, forming toxic HCl gas. (Logsdon, John E., Richard A. Loke., sopropyl Alcohol. Kirk-Othmer Encyclopedia of Chemical Technology. John Wiley & Sons, Inc. 1996.).

Health Hazard

Exposures to isopropyl alcohol cause irritation to the eyes and mucous membranes. Exposures to isopropyl alcohol for 3–5 min (400 ppm) caused mild irritation of the eyes, nose, and throat, and at 800 ppm these symptoms became severe. Ingestion or an oral dose of 25 mL in 100 mL of water produced hypotension, facial flushing, bradycardia, and dizziness. Ingestion in large quantities caused extensive hemorrhagic tracheobronchitis, bronchopneumonia, and hemorrhagic pulmonary edema. Prolonged skin contact with isopropyl alcohol caused eczema and sensitivity. Delayed dermal absorption is attributed to a number of pediatric poisonings that have occurred following repeated or prolonged sponge bathing with isopropyl alcohol to reduce fever. In several cases, symptoms included respiratory distress, stupor, and coma. Laboratory animals exposed to isopropyl alcohol develop poisoning with symptoms of hind leg paralysis, unsteadiness, lack of muscular coordination, respiratory depression, and stupor. Isopropyl alcohol is a potent CNS depressant, and in large doses causes cardiovascular depression.

Fire Hazard

Isopropyl Alcohol(IPA) is highly flammable in its liquid and vapor forms and flammable atmospheres can be created at temperatures as low as 540°F /120℃ . This means that any environment where IPA is being used needs to be well ventilated. It should be kept away from heat and open flame. As the vapour is heavier than air, it may spread along the ground, so care needs to be taken that the vapour is not ignited by a distant source.

Pharmaceutical Applications

Isopropyl alcohol (propan-2-ol) is used in cosmetics and pharmaceutical formulations, primarily as a solvent in topical formulations.( It is not recommended for oral use owing to its toxicity. Although it is used in lotions, the marked degreasing properties of isopropyl alcohol may limit its usefulness in preparations used repeatedly. Isopropyl alcohol is also used as a solvent both for tablet film-coating and for tablet granulation, where the isopropyl alcohol is subsequently removed by evaporation. It has also been shown to significantly increase the skin permeability of nimesulide from carbomer 934. Isopropyl alcohol has some antimicrobial activity and a 70% v/v aqueous solution is used as a topical disinfectant. Therapeutically, isopropyl alcohol has been investigated for the treatment of postoperative nausea or vomiting.

Safety

Isopropyl alcohol is about twice as toxic as ethanol and should therefore not be administered orally; isopropyl alcohol also has an unpleasant taste. Symptoms of isopropyl alcohol toxicity are similar to those for ethanol except that isopropyl alcohol has no initial euphoric action, and gastritis and vomiting are more prominent; see Alcohol. Delta osmolality may be useful as rapid screen test to identify patients at risk of complications from ingestion of isopropyl alcohol. The lethal oral dose is estimated to be about 120–250mL although toxic symptoms may be produced by 20 mL.Adverse effects following parenteral administration of up to 20mL of isopropyl alcohol diluted with water have included only a sensation of heat and a slight lowering of blood pressure. However, isopropyl alcohol is not commonly used in parenteral products.Although inhalation can cause irritation and coma, the inhalation of isopropyl alcohol has been investigated in therapeutic applications.Isopropyl alcohol is most frequently used in topical pharmaceutical formulations where it may act as a local irritant. When applied to the eye it can cause corneal burns and eye damage.LD50 (dog, oral): 4.80 g/kgLD50 (mouse, oral): 3.6 g/kgLD50 (mouse, IP): 4.48 g/kgLD50 (mouse, IV): 1.51 g/kgLD50 (rabbit, oral): 6.41 g/kgLD50 (rabbit, skin): 12.8 g/kgLD50 (rat, IP): 2.74 g/kgLD50 (rat, IV): 1.09 g/kgLD50 (rat, oral): 5.05 g/kg

Synthesis

Synthetically prepared from acetylene or propylene.

Carcinogenicity

CD-1 mice were exposed by inhalation to 0, 500, 2500, or 5000 ppm of isopropanol vapor for 6 h/day, 5 days/week for 18 months. An additional group of mice (all exposure levels) were assigned to a recovery group that were exposed to isopropanol for 12 months and then retained until study termination at 18 months. There was no increased frequency of neoplastic lesions in any of the isopropanol-exposed animals. Nonneoplastic lesions were limited to the testes (males) and the kidney. In the testes, enlargement of the seminal vesicles occurred in the absence of associated inflammatory or degenerative changes. The kidney effects included tubular proteinosis and/or tubular dilatation. The incidence of testicular and kidney effects was not increased in the isopropanol-exposed recovery animals.

Environmental Fate

The vast majority of isopropanol in the environment originates from manufacturing processes. Small amounts are produced by certain microbes, fungi, and yeast. The high volatility of isopropanol ensures that when it is released into the environment in any state, it eventually ends up in the atmosphere. There, it can be degraded by hydroxyl radicals or it can return to soil or water through precipitation. Its half-life in the environment is approximately 3.2 days and is highly biodegradable; bioaccumulation in plants and animals does not occur.

storage

Isopropyl alcohol should be stored in a cool, dry, well-ventilated area in tightly sealed containers with a proper label. Outside or detached storage is preferable. Inside storage should be a flammable liquids storage room or cabinet. Workers should not store isopropyl alcohol above 37°C (100°F). Containers of isopropyl alcohol should be protected from physical damage and contact with air, and should be stored separately from strong oxidizers, acetaldehyde, chlorine, ethylene oxide, acids, and isocyanates. Isopropyl alcohol should be transported to the nearest laboratory as quickly as possible in cool containers.

Purification Methods

Isopropyl alcohol is prepared commercially by dissolution of propene in H2SO4, followed by hydrolysis of the sulfate ester. Major impurities are water, lower alcohols and oxidation products such as aldehydes and ketones. Purification of isopropanol follows substantially the same procedure as for n-propyl alcohol. Isopropanol forms a constant-boiling mixture, b 80.3o, with water. Most of the water can be removed from this 91% isopropanol by refluxing with CaO (200g/L) for several hours, then distilling. The distillate can be dried further with CaH2, magnesium ribbon, BaO, CaSO4, calcium, anhydrous CuSO4 or Linde type 5A molecular sieves. Distillation from sulfanilic acid removes ammonia and other basic impurities. Peroxides [indicated by liberation of iodine from weakly acid (HCl) solutions of 2% KI] can be removed by refluxing with solid stannous chloride or with NaBH4 then the alcohol is fractionally distilled. To obtain isopropanol containing only 0.002M of water, sodium (8g/L) is dissolved in material dried by distillation from CaSO4. Isopropyl benzoate (35mL) is then added and, after refluxing for 3hours, the alcohol is distilled through a 50-cm Vigreux column (p 11). [Hine & Tanabe J Am Chem Soc 80 3002 1958.] Other purification steps for isopropanol include refluxing with solid aluminium isopropoxide, refluxing with NaBH4 for 24hours, and removing acetone by treatment with, and distillation from, 2,4-dinitrophenylhydrazine. Peroxides re-form in isopropanol if it is kept for several days in contact with air. [Beilstein 1 IV 1461.]

Toxicity evaluation

Isopropanol is similar to other alcohols in its ability to induce central nervous system (CNS) depression by enhancing inhibitory neuronal activity and antagonizing excitatory neuronal activity. It also can cause localized irritation upon contact with skin and mucous membranes after dermal exposure and ingestion, respectively.

Incompatibilities

Incompatible with oxidizing agents such as hydrogen peroxide and nitric acid, which cause decomposition. Isopropyl alcohol may be salted out from aqueous mixtures by the addition of sodium chloride, sodium sulfate, and other salts, or by the addition of sodium hydroxide.

Precautions

Workers should wash hands and face thoroughly after handling isopropyl alcohol. Workers should wear gloves, safety glasses and a face shield, boots, apron, and a full impermeable suit is recommended if exposure is possible to a large portion of the body.

Regulatory Status

Included in the FDA Inactive Ingredients Database (oral capsules, tablets, and topical preparations). Included in nonparenteral medicines licensed in the UK. Included in the Canadian List of Acceptable Non-medicinal Ingredients.

Check Digit Verification of cas no

The CAS Registry Mumber 67-63-0 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 6 and 7 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 67-63:
(4*6)+(3*7)+(2*6)+(1*3)=60
60 % 10 = 0
So 67-63-0 is a valid CAS Registry Number.
InChI:InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

67-63-0 Well-known Company Product Price

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  • Alfa Aesar

  • (36644)  2-Propanol, ACS, 99.5% min   

  • 67-63-0

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  • Alfa Aesar

  • (36644)  2-Propanol, ACS, 99.5% min   

  • 67-63-0

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  • (36644)  2-Propanol, ACS, 99.5% min   

  • 67-63-0

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  • Alfa Aesar

  • (36644)  2-Propanol, ACS, 99.5% min   

  • 67-63-0

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  • Alfa Aesar

  • (41463)  2-Propanol, anhydrous, 99.5+%   

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  • Alfa Aesar

  • (41463)  2-Propanol, anhydrous, 99.5+%   

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  • Alfa Aesar

  • (41463)  2-Propanol, anhydrous, 99.5+%   

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  • Alfa Aesar

  • (22906)  2-Propanol, HPLC Grade, 99.7+%   

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  • Alfa Aesar

  • (22906)  2-Propanol, HPLC Grade, 99.7+%   

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  • Alfa Aesar

  • (22906)  2-Propanol, HPLC Grade, 99.7+%   

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  • (22906)  2-Propanol, HPLC Grade, 99.7+%   

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  • Alfa Aesar

  • (L10181)  2-Propanol, 99+%   

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67-63-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name propan-2-ol

1.2 Other means of identification

Product number -
Other names iso-Propyl alcohol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Antimicrobial Actives;Solvents;Surfactants
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:67-63-0 SDS

67-63-0Synthetic route

acetone
67-64-1

acetone

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With hydrogen; mer-Os(PPh3)3HBr(CO) In toluene at 150℃; under 51680 Torr; for 3h;100%
With hydrogen; sodium methylate; chromium(0) hexacarbonyl In methanol at 120℃; under 75006 Torr; for 3h;100%
With hydrogen; Ru((R,R)-cyP2N2)HCl In benzene-d6 at 20℃; under 2280.15 Torr; for 12h; Product distribution / selectivity; Alkaline conditions; Cooling with liquid nitrogen;100%
methanol
67-56-1

methanol

Isopropyl acetate
108-21-4

Isopropyl acetate

A

acetic acid methyl ester
79-20-9

acetic acid methyl ester

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
methanol
67-56-1

methanol

isopropyl benzoate
939-48-0

isopropyl benzoate

A

benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;A 100%
B n/a
titanium(IV) isopropylate
546-68-9

titanium(IV) isopropylate

A

titanium(IV) oxide

titanium(IV) oxide

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In gas byproducts: CH3CHCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 700°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra;A n/a
B 100%
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum
25443-56-5

hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

A

aluminium(isopropoxide)(OCOCH2CH2SH)2

aluminium(isopropoxide)(OCOCH2CH2SH)2

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene exclusion of moisture, addn. of 3-mercaptopropionic acid in benzene to Al(OiPr)3 in benzene (molar ratio 2:1), refluxing; elem. anal.;A 100%
B n/a
piperazine
110-85-0

piperazine

titanium(IV) isopropylate
546-68-9

titanium(IV) isopropylate

dibenzo[b,f][1,4]thiazepin-11-one
3159-07-7

dibenzo[b,f][1,4]thiazepin-11-one

A

11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine
5747-48-8

11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
at 170℃; for 5h; Heating / reflux;A 99%
B n/a
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum
25443-56-5

hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

A

aluminium(isopropoxide)2(OCOCH2CH2SH)

aluminium(isopropoxide)2(OCOCH2CH2SH)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene exclusion of moisture, addn. of 3-mercaptopropionic acid in benzene to Al(OiPr)3 in benzene (molar ratio 1:1), refluxing; elem. anal.;A 99%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

2-((phenylamino)methyl)phenol
3526-45-2

2-((phenylamino)methyl)phenol

A

(N-(phenyl)benzylamine-2-ato)-bis(8-quinolinato)-titanium(IV)

(N-(phenyl)benzylamine-2-ato)-bis(8-quinolinato)-titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.7%
B n/a
4-bromo-2-((p-tolylamino)methyl)phenol

4-bromo-2-((p-tolylamino)methyl)phenol

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

A

(N-(4-methylphenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(4-methylphenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.6%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

2-((4-chlorophenylamino)methyl)phenol
7193-94-4

2-((4-chlorophenylamino)methyl)phenol

A

(N-(4-chlorophenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(4-chlorophenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.6%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

N-(2-hydroxybenzyl)-p-anisidine
52537-88-9

N-(2-hydroxybenzyl)-p-anisidine

A

(N-(4-methoxyphenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(4-methoxyphenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.4%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

4-bromo-2-(((4-bromophenyl)amino)methyl)phenol
132120-37-7

4-bromo-2-(((4-bromophenyl)amino)methyl)phenol

A

[(N-(4-bromophenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)]

[(N-(4-bromophenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)]

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.3%
B n/a
4-bromo-2-(((4-methoxyphenyl)amino)methyl)phenol
763132-62-3

4-bromo-2-(((4-methoxyphenyl)amino)methyl)phenol

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

A

(N-(4-methoxyphenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(4-methoxyphenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.2%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

2-(2-chloro-anilinomethyl)-phenol
7166-37-2

2-(2-chloro-anilinomethyl)-phenol

A

(N-(2-chlorophenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(2-chlorophenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.2%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

2-((p-toluidino)methyl)phenol
14674-88-5

2-((p-toluidino)methyl)phenol

A

(N-(4-methylphenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(4-methylphenyl)benzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.1%
B n/a
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

N-phenyl-N-2-hydroxy-5-bromobenzylamine
61593-31-5

N-phenyl-N-2-hydroxy-5-bromobenzylamine

A

(N-(phenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(phenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 98.1%
B n/a
pyridine
110-86-1

pyridine

Cl2Pt(C(OiPr)(Me))2

Cl2Pt(C(OiPr)(Me))2

A

isopropyl chloride
75-29-6

isopropyl chloride

B

cis-Cl(py)Pt(COMe)[C(OiPr)(Me)]
1395411-06-9

cis-Cl(py)Pt(COMe)[C(OiPr)(Me)]

C

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In tetrahydrofuran-d8 at 55℃; for 21h;A n/a
B 98%
C n/a
2-isopropoxytetrahydropyran
1927-70-4

2-isopropoxytetrahydropyran

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With methanol; boron trichloride In neat (no solvent) at 20℃; for 0.05h; Green chemistry;98%
cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)
23329-69-3, 454677-87-3

cis-di-2-propanolato-bis(8-quinolinato)-titanium(IV)

4-bromo-2-(((2-bromophenyl)amino)methyl)phenol
1323851-44-0

4-bromo-2-(((2-bromophenyl)amino)methyl)phenol

A

(N-(2-bromophenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

(N-(2-bromophenyl)-5-bromobenzylamine-2-ato)-bis(8-quinolinato)titanium(IV)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In toluene at 100 - 120℃; for 4 - 5h; Heating;A 97.8%
B n/a
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum
25443-56-5

hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

mercaptoacetic acid
68-11-1

mercaptoacetic acid

A

aluminiumtris(2-mercaptoacetate)

aluminiumtris(2-mercaptoacetate)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene exclusion of moisture, addn. of 2-mercaptoacetic acid in benzene to Al(OiPr)3 in benzene (molar ratio 3:1), refluxing; elem. anal.;A 96%
B n/a
titanium(IV) isopropylate
546-68-9

titanium(IV) isopropylate

3,4-dimercaptotoluene
496-74-2

3,4-dimercaptotoluene

A

C13H20O2S2Ti
126975-34-6

C13H20O2S2Ti

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene N2-atmosphere; azeotropic distn. of i-PrOH, evapn. (reduced pressure), repeated dissoln. in petroleum, evapn. (reduced pressure);A 95%
B n/a
propene
187737-37-7

propene

acetic acid
64-19-7

acetic acid

A

di-isopropyl ether
108-20-3

di-isopropyl ether

B

Isopropyl acetate
108-21-4

Isopropyl acetate

C

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With water; cesium nitrate; tungstophosphoric acid; water; mixture of, dried, tabletted at 105.6 - 165℃; under 6750.68 Torr; Product distribution / selectivity; Gas phase;A 2.3%
B 94.7%
C 2.8%
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum
25443-56-5

hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

mercaptoacetic acid
68-11-1

mercaptoacetic acid

A

aluminium(isopropoxide)2(2-mercaptoacetate)

aluminium(isopropoxide)2(2-mercaptoacetate)

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene exclusion of moisture, addn. of 2-mercaptoacetic acid in benzene to Al(OiPr)3 in benzene (molar ratio 1:1), refluxing (100°C bath temp.); slow evapn. (3 h), ppt. is filtered and dried under reduced pressure, elem. anal.;A 94%
B n/a
hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum
25443-56-5

hexakis[μ-(2-propanolato)]hexakis(2-propanolato)tetraaluminum

mercaptoacetic acid
68-11-1

mercaptoacetic acid

A

aluminium(isopropoxide)(2-mercaptoacetate)2

aluminium(isopropoxide)(2-mercaptoacetate)2

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
In benzene exclusion of moisture, addn. of 2-mercaptoacetic acid in benzene to Al(OiPr)3 in benzene (molar ratio 2:1), refluxing; elem. anal.;A 93%
B n/a
1,3-dimethylbarbituric acid
769-42-6

1,3-dimethylbarbituric acid

acetone
67-64-1

acetone

A

di-isopropyl ether
108-20-3

di-isopropyl ether

B

1,3-dimethyl-5-isopropylbarbituric acid
7358-62-5

1,3-dimethyl-5-isopropylbarbituric acid

C

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
Stage #1: 1,3-dimethylbarbituric acid; acetone
Stage #2: With sulfuric acid; hydrogen; platinum on activated charcoal In water under 3878.61 Torr; for 48h;
A n/a
B 92%
C n/a
benzaldehyde
100-52-7

benzaldehyde

isopropylamine
75-31-0

isopropylamine

acetophenone
98-86-2

acetophenone

A

2,4,6-triphenylpyridine
580-35-8

2,4,6-triphenylpyridine

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate at 120℃; for 5h; Neat (no solvent); regioselective reaction;A 92%
B 90 %Chromat.
propylene glycol
57-55-6

propylene glycol

A

propan-1-ol
71-23-8

propan-1-ol

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
With hydrogen at 180℃; under 37503.8 Torr; Catalytic behavior; chemoselective reaction;A 91.2%
B 7.8%
With hydrogen In water at 179.84℃; under 22502.3 Torr; for 10h; Autoclave;A 76%
B 9%
With hydrogen In water at 130℃; under 30003 Torr; for 24h;
1-(2-hydroxyethyl)piperazine
103-76-4

1-(2-hydroxyethyl)piperazine

titanium(IV) isopropylate
546-68-9

titanium(IV) isopropylate

dibenzo[b,f][1,4]thiazepin-11-one
3159-07-7

dibenzo[b,f][1,4]thiazepin-11-one

A

O-Dealkyl Quetiapine
329216-67-3

O-Dealkyl Quetiapine

B

isopropyl alcohol
67-63-0

isopropyl alcohol

Conditions
ConditionsYield
at 170℃; for 5.5h; Heating / reflux;A 91%
B n/a
phthalic anhydride
85-44-9

phthalic anhydride

isopropyl alcohol
67-63-0

isopropyl alcohol

monoisopropyl phthalate
35118-50-4

monoisopropyl phthalate

Conditions
ConditionsYield
at 90℃; for 6h;100%
for 6h; Reflux;99%
With 1-hydro-3-(3-sulfopropyl)-imidazolium 4-methyl-benzenesulfonate at 60℃; Heating;92%
4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl 4-aminobenzoate
18144-43-9

isopropyl 4-aminobenzoate

Conditions
ConditionsYield
Stage #1: 4-amino-benzoic acid; isopropyl alcohol With thionyl chloride at 20℃; for 90h; Reflux;
Stage #2: With sodium hydrogencarbonate In water; isopropyl alcohol
100%
With thionyl chloride; sodium carbonate for 2h; Heating;89%
With hydrogenchloride
isopropyl alcohol
67-63-0

isopropyl alcohol

3,5-dinitrobenoyl chloride
99-33-2

3,5-dinitrobenoyl chloride

3,5-dinitro-benzoic acid isopropyl ester
10477-99-3

3,5-dinitro-benzoic acid isopropyl ester

Conditions
ConditionsYield
With pyridine In tetrahydrofuran for 0.333333h; Heating;100%
With diethyl ether
With pyridine; benzene
isopropyl alcohol
67-63-0

isopropyl alcohol

propene
187737-37-7

propene

Conditions
ConditionsYield
1 percent alumina-modified MCM-41 at 250℃; Product distribution; Further Variations:; Catalysts; Temperatures; Dehydration;100%
With mesoporous silica MCM-4l/Al at 246.84℃; for 50h;100%
With hydrogen at 174.84℃; for 6h; Catalytic behavior;99.5%
isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl chloride
75-29-6

isopropyl chloride

Conditions
ConditionsYield
With indium(III) chloride; dimethylmonochlorosilane; benzil In dichloromethane at 20℃; for 6h;100%
With priphenylchlorophosphonium phosphorodichloridate at 20℃; Arbuzov reaction;84%
With hydrogenchloride at 120℃; under 7500.75 Torr; Flow reactor;54%
isopropyl alcohol
67-63-0

isopropyl alcohol

acetone
67-64-1

acetone

Conditions
ConditionsYield
With trans-4L1(O)2>ClO4 In acetonitrile at 25℃; for 7h; stoicheiometric oxidation ( electrochemical oxidation in a non-aqueous medium (acetonitrile), an Ag-AgNO3 reference electrode;100%
With C19H20N3O2Ru(2+)*2F6P(1-) In aq. buffer at 24.84℃; for 1h; pH=1.8; Thermodynamic data; Activation energy; Reagent/catalyst;100%
With tert-butylethylene; C32H52ClIrP2; sodium t-butanolate at 200℃; for 2h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Glovebox;100%
styrene oxide
96-09-3

styrene oxide

isopropyl alcohol
67-63-0

isopropyl alcohol

2-isopropoxy-2-phenylethanol
89101-31-5, 90332-91-5

2-isopropoxy-2-phenylethanol

Conditions
ConditionsYield
With erbium(III) triflate at 25℃; for 1.5h;100%
With ytterbium(III) triflate at 20℃; for 12h;98%
With tin(IV)tetraphenylporphyrinato trifluoromethanesulfonate for 0.0833333h; Heating;98%
benzyl bromide
100-39-0

benzyl bromide

isopropyl alcohol
67-63-0

isopropyl alcohol

benzyl isopropyl ether
937-54-2

benzyl isopropyl ether

Conditions
ConditionsYield
Stage #1: isopropyl alcohol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Inert atmosphere;
Stage #2: benzyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 5h; Inert atmosphere;
100%
With iron(II) sulfate at 75℃; for 12h;92%
With silver(II) oxide Heating;90%
With potassium hydroxide; tetrafluoroboric acid; mercury(II) oxide In dichloromethane 1.) room temp., 1 h;60%
(i) Ag2O, (ii) Py, PhCOCl; Multistep reaction;
ethyl 2-phenyldiazoacetate
22065-57-2

ethyl 2-phenyldiazoacetate

isopropyl alcohol
67-63-0

isopropyl alcohol

ethyl 2-isopropyloxyphenylacetate

ethyl 2-isopropyloxyphenylacetate

Conditions
ConditionsYield
With silver hexafluoroantimonate; C29H33AuClN3O2 In chloroform-d1 at 20℃;100%
dirhodium tetraacetate In dichloromethane for 0.1h; Ambient temperature;92%
p-Tolylisocyanate
622-58-2

p-Tolylisocyanate

isopropyl alcohol
67-63-0

isopropyl alcohol

carbamic acid, (4-methylphenyl)-, 1-methylethyl ester
36613-26-0

carbamic acid, (4-methylphenyl)-, 1-methylethyl ester

Conditions
ConditionsYield
Ambient temperature;100%
In dichloromethane at 20℃; for 4.5h; Inert atmosphere;13 mg
ethyl 5-oxo-2-phenyl-2,5-dihydroisoxazole-4-carboxaldehyde
4504-12-5

ethyl 5-oxo-2-phenyl-2,5-dihydroisoxazole-4-carboxaldehyde

isopropyl alcohol
67-63-0

isopropyl alcohol

(Z)-2-Isopropoxy-3-phenylamino-acrylic acid ethyl ester
142558-49-4, 142558-62-1

(Z)-2-Isopropoxy-3-phenylamino-acrylic acid ethyl ester

Conditions
ConditionsYield
Irradiation; pyrex filter;100%
perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride
2641-34-1

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride

isopropyl alcohol
67-63-0

isopropyl alcohol

2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid isopropyl ester

2'-perfluoropropoxy-2-perfluoropropoxyperfluoropropanoic acid isopropyl ester

Conditions
ConditionsYield
at 20 - 30℃; for 1.5h; Inert atmosphere;100%
With water for 1h; Ambient temperature;85.5%
at 25 - 30℃; for 49h;
ethyl 2-hydroxypyrrolidine-1-carboxylate
69352-25-6

ethyl 2-hydroxypyrrolidine-1-carboxylate

isopropyl alcohol
67-63-0

isopropyl alcohol

2-isopropoxy-pyrrolidine-1-carboxylic acid ethyl ester
69352-23-4

2-isopropoxy-pyrrolidine-1-carboxylic acid ethyl ester

Conditions
ConditionsYield
With acetic acid100%
2,6-Difluorobenzyl bromide
85118-00-9

2,6-Difluorobenzyl bromide

isopropyl alcohol
67-63-0

isopropyl alcohol

1,3-Difluoro-2-isopropoxymethyl-benzene

1,3-Difluoro-2-isopropoxymethyl-benzene

Conditions
ConditionsYield
With silver(II) oxide for 1h; Heating;100%
3-(2-vinyloxyethoxy)-1,2-propylene carbonate
54107-24-3

3-(2-vinyloxyethoxy)-1,2-propylene carbonate

isopropyl alcohol
67-63-0

isopropyl alcohol

4-[2-(1-Isopropoxy-ethoxy)-ethoxymethyl]-[1,3]dioxolan-2-one
126867-30-9

4-[2-(1-Isopropoxy-ethoxy)-ethoxymethyl]-[1,3]dioxolan-2-one

Conditions
ConditionsYield
With heptafluorobutyric Acid at 20 - 45℃; for 3h;100%
2,3-di-O-benzoyl-L-(+)-tartaric anhydride
136862-04-9

2,3-di-O-benzoyl-L-(+)-tartaric anhydride

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl hydrogen 2,3-di-O-benzoyl-L-(+)-tartrate
117655-09-1

isopropyl hydrogen 2,3-di-O-benzoyl-L-(+)-tartrate

Conditions
ConditionsYield
In chloroform at 60℃; for 3h;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

C19H55N3P2Si6
78463-59-9

C19H55N3P2Si6

C22H63N3OP2Si6

C22H63N3OP2Si6

Conditions
ConditionsYield
In diethyl ether for 1h;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

exo-cis-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dimethanol carbonate
106137-28-4

exo-cis-7-oxabicyclo<2.2.1>hept-5-ene-2,3-dimethanol carbonate

Carbonic acid (1S,2S,3R,4R)-3-hydroxymethyl-7-oxa-bicyclo[2.2.1]hept-5-en-2-ylmethyl ester isopropyl ester

Carbonic acid (1S,2S,3R,4R)-3-hydroxymethyl-7-oxa-bicyclo[2.2.1]hept-5-en-2-ylmethyl ester isopropyl ester

Conditions
ConditionsYield
With toluene-4-sulfonic acid for 8h; Heating;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

benzylamine
100-46-9

benzylamine

Benzyl-isopropyl-amin
102-97-6

Benzyl-isopropyl-amin

Conditions
ConditionsYield
With C13H20N2O*Ir(1+); hydrogen at 80℃; under 3000.3 Torr; for 23h; Reagent/catalyst; Autoclave; Green chemistry;100%
With nickel at 20℃; for 26h;70%
Pt on TiO2 for 10h; Ambient temperature; Irradiation;36.32%
2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl trichloroacetimidate
90357-89-4

2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl trichloroacetimidate

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl 2,3,4,6-tetra-O-benzyl-D-glucopyranoside
151909-91-0

isopropyl 2,3,4,6-tetra-O-benzyl-D-glucopyranoside

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate; 1-ethyl-3-methylimidazolium triflate at 20℃; for 0.333333h;100%
With 1-ethyl-3-methylimidazolium triflate at 20℃;100%
With molecular sieve; lithium perchlorate In dichloromethane at 25℃;96%
chlorosulfonylacetyl chloride
4025-77-8

chlorosulfonylacetyl chloride

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl (chlorosulfonyl)acetate
303153-12-0

isopropyl (chlorosulfonyl)acetate

Conditions
ConditionsYield
In diethyl ether at 0℃; Esterification;100%
In tetrahydrofuran at 0℃; for 0.333333h;100%
In dichloromethane
In diethyl ether
In tetrahydrofuran at 0 - 20℃; for 2.33333h; Inert atmosphere;
isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl hypophosphite
51963-59-8

isopropyl hypophosphite

Conditions
ConditionsYield
With triethylammonium phosphinate In dichloromethane at 20℃; for 0.166667h;100%
With hypophosphorous acid In benzene for 15h; Dean-Stark; Inert atmosphere; Reflux;100%
With pyrophosphorous acid In benzene Heating;100 % Spectr.
(R)-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate
33647-88-0

(R)-5-oxo-5,6-dihydro-2H-pyran-2-yl acetate

isopropyl alcohol
67-63-0

isopropyl alcohol

6-isopropoxy-6H-pyran-3-one

6-isopropoxy-6H-pyran-3-one

Conditions
ConditionsYield
With palladium diacetate; triphenylphosphine at 20℃; for 1h;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

trans 4-(bromomethyl)-2-methoxy-1,3-dioxolane
210989-55-2

trans 4-(bromomethyl)-2-methoxy-1,3-dioxolane

trans 4-(bromomethyl)-2-isopropoxy-1,3-dioxolane
210989-56-3

trans 4-(bromomethyl)-2-isopropoxy-1,3-dioxolane

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene at 90℃;100%
cycl-isopropylidene malonate
2033-24-1

cycl-isopropylidene malonate

isopropyl alcohol
67-63-0

isopropyl alcohol

i-propyl malonic half ester
56766-77-9

i-propyl malonic half ester

Conditions
ConditionsYield
In acetonitrile for 22h; Heating;100%
Reflux;76%
In toluene for 5h; Heating;
isopropyl alcohol
67-63-0

isopropyl alcohol

rac-Ala-OH
302-72-7

rac-Ala-OH

iso-propyl alaninate hydrochloride

iso-propyl alaninate hydrochloride

Conditions
ConditionsYield
With thionyl chloride at -20℃; for 4h; Heating / reflux;100%
With thionyl chloride for 16h; Heating;
isopropyl alcohol
67-63-0

isopropyl alcohol

3-phenylsulfanyl-butyric acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-benzyl ester
356055-89-5

3-phenylsulfanyl-butyric acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-benzyl ester

3-phenylsulfanyl-butyric acid isopropyl ester

3-phenylsulfanyl-butyric acid isopropyl ester

Conditions
ConditionsYield
With titanium(IV) isopropylate for 6h; Heating;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

3-(4-tert-butyl-phenylsulfanyl)-hexanoic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decyl)-benzyl ester
356055-96-4

3-(4-tert-butyl-phenylsulfanyl)-hexanoic acid 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decyl)-benzyl ester

3-(4-tert-butyl-phenylsulfanyl)-hexanoic acid isopropyl ester

3-(4-tert-butyl-phenylsulfanyl)-hexanoic acid isopropyl ester

Conditions
ConditionsYield
With titanium(IV) isopropylate for 6h; Heating;100%
isopropyl alcohol
67-63-0

isopropyl alcohol

4-(2-perfluorodecyl)ethylbenzyl 2-methyl-3-phenylthiopropanoate
356055-88-4

4-(2-perfluorodecyl)ethylbenzyl 2-methyl-3-phenylthiopropanoate

1-methylethyl 2-methyl-3-phenylthiopropanoate

1-methylethyl 2-methyl-3-phenylthiopropanoate

Conditions
ConditionsYield
With titanium(IV) isopropylate for 6h; Heating;100%

67-63-0Relevant articles and documents

HOMOGENEOUS HYDROGENATION OF KETONES TO ALCOHOLS WITH RUTHENIUM COMPLEX CATALYSTS

Sanchez-Delgado, R.A.,Ochoa, O.L. De

, p. 427 - 434 (1980)

A number of ruthenium triphenylphosphine complexes catalyse the reduction of ketones to their corresponding alcohols in the presence of water.The most convenient catalyst precursors are carbonyl containing complexes which do not promote decarbonylation of the substrate.The hydrogenation of acetone with hydridochlorocarbonyltris(triphenylphosphine)ruthenium is first order with respect to the substrate concentration, the catalyst concentration, the hydrogen pressure and the water concentration.Turnover numbers up to 15,000 have been achieved with this catalyst.Other ketones are also reduced by RuHCl(CO)(PPh3)3 and the rate of the reaction is dependent on the nature of the substrate.

Nucleophilic substitution in radicals derived from isopropyl chloride

Kosobutskii

, p. 1050 - 1052 (2003)

-

Kinetics of an Associative Ligand-Exchange Process: Alcohol Exchange with Arsenate(V) Triesters

Baer, Carl D.,Edwards, John O.,Kaus, Malcolm J.,Richmond, Thomas G.,Rieger, Philip H.

, p. 5793 - 5798 (1980)

The rate of alcohol exchange with trialkyl arsenates has been studied by three techniques.Exchange of the straight-chain alcohols (ethyl, n-propyl, n-butyl, and n-pentyl) was studied in acetonitrile solution by using proton NMR line broadening.Activation enthalpies and entropies were found in the ranges 1 to 6kJ mol-1 and -204 and -226 J mol-1 K-1, respectively.The reactions are subject to acid catalysis for which slightly higher ΔH and less negative ΔS values were found.Methyl exchange, studied by the same technique, is about one powere of ten faster.Isopropyl exchange, about three powers of ten slower, was studied in acetonitrile and dichloromethane solutions by deuterium labeling, using proton NMR.The interchange reaction of benzyl alcohol with triisopropyl arsenate in acetonitrile or dichloromethane was followed by spectrophotometry.Hydrogen bonding between alcohol and ester (which complicates order determination) was observed when reactants were at concentrations greater than about 10-2 M.The strongly associative mechanism is discussed.

Hydrodeoxygenation of glycerol into propanols over a Ni/WO3–TiO2 catalyst

Greish, Alexander A.,Finashina, Elena D.,Tkachenko, Olga P.,Nikul'shin, Pavel A.,Ershov, Mikhail A.,Kustov, Leonid M.

, p. 119 - 120 (2020)

Hydrodeoxygenation of glycerol in a flow reactor over a bifunctional Ni/WO3–TiO2 catalyst at 240–255 °C and hydrogen pressure of 3 MPa affords propan-1-ol and propan-2-ol in total yield of 94%.

Electrode Potential of a Dispersed Raney Nickel Electrode during Acetone Hydrogenation: Influence of the Solution and Reaction Kinetics

Pardillos-Guindet, J.,Vidal, S.,Court, J.,Fouilloux, P.

, p. 12 - 20 (1995)

The hydrogenation of acetone was investigated in basic aquueous solutions with undoped and chromium-doped catalysts.The reaction was carried out under pressure in an autoclave equipped with a reference electrode.The consumption of hydrogen and the electrode potential were measured during the course of the reaction.A mathematical model was applied which fits the experimental kinetic data well.It allows the computation of the rate constant and the absorption equilibrium constants.The kinetics obey a Langmuir-Hinshelwood mechanism with competitive adsorption.The metallic catalyst particles behave like a dispersed electrode and an electrochemical double layers is formed at their surface.In the presence of hydrogen alone, the metal potential obeys the Nernst law for the hydrogen electrode.During acetone hydrogenation, the double layer is modified and the measured potential goes to the positive region for several tens of millivolts, depending on whether the catalyst is doped or not.In all cases an experimental correlation was found between this experimental potential rise and the reaction rate.

CATALYTIC AND STOICHIOMETRIC REDUCTION OF KETONES AND ALDEHYDES BY THE HYDRIDOTETRACARBONYL FERRATE ANION

Marko, Laszlo,Radhi, Mazin A.,Otvos, Irma

, p. 369 - 376 (1981)

Acetone is catalytically reduced to isopropyl alcohol by carbon monoxide and water in the presence of iron carbonyls and triethylamine at 100 deg C and 100 bar.Use of NaOH in place of triethylamine gives a much less efficient catalyst system.The Et3NH*HFe(CO)4 system also catalyses the reduction of n-butyraldehyde to n-butyl alcohol at room temperature in a fast stoichiometric reaction, whereas NaHFe(CO)4 is inactive under the same conditions.The Et3NH+ cation is necessary for the transfer of a proton to the carbonyl group, while the HFe(CO)4- anion carries out nucleophilic attack on carbonyl group and supplies the hydride ion.

Catalytic reduction of acetophenone with transition metal systems containing chiral bis(oxazolines)

Gómez, Montserrat,Jansat, Susanna,Muller, Guillermo,Bonnet, Michel C,Breuzard, Jérémy A.J,Lemaire, Marc

, p. 186 - 195 (2002)

The catalytic behaviour of several Ru, Rh and Ir systems containing bis(oxazoline) ligands (1-6) has been tested in the asymmetric reduction of acetophenone (7) to give 1-phenylethanol (8) by hydrogenation (Ir systems), transfer hydrogenation (Ir and Ru s

-

Osburn,Werkman

, p. 417 (1935)

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Engineered alkane-hydroxylating cytochrome P450BM3 exhibiting nativelike catalytic properties

Fasan, Rudi,Chen, Mike M.,Crook, Nathan C.,Arnold, Frances H.

, p. 8414 - 8418 (2007)

(Figure Presented) Divide, evolve, and conquer: A domain-based strategy (see scheme) was used to engineer high catalytic and coupling efficiency for propane hydroxylation in a multidomain cytochrome P450 enzyme. The engineered enzymes exhibit high total activities in whole-cell bioconversions of propane to propanol under mild conditions, using air as oxidant.

Synthesis of uniform titanium and 1:1 strontium-titanium carboxyhydrosols by controlled hydrolysis of alkoxymetal carboxylate precursors

Riman,Landham,Bowen

, p. 821 - 826 (1989)

Uniform inorganic carboxhydrosols containing titanium or strontium and titanium cations were precipitated from isopropyl alcohol solutions by the controlled hydrolysis of metal alkoxycarboxylate precursors. The hydrolysis of various triisopropoxytitanium carboxylate compounds yielded the capability to control particle size. Spherical particles of carboxyhydrosols were prepared in mean sizes from 0.4 to 2.9 μm. Controlled hydrolysis of quintaisopropoxystrontium titanium octanoate resulted in slightly agglomerated, uniform 1-μm spheres in a solvent medium in which controlled precipitation of uniform powders was not previously possible. Conversion of the hydrous oxide carboxylate precipitate to the oxide via calcination or hydrothermal treatment was possible.

Propane reacts with O2 and H2 on gold supported TS-1 to form oxygenates with high selectivity

Bravo-Suarez,Bando,Akita,Fujitani,Fuhrer,Oyama

, p. 3272 - 3274 (2008)

Gold nanoparticles supported on a microporous titanosilicate (TS-1) were found to be highly selective (95%) towards the formation of acetone and isopropanol from propane, O2, and H2 at moderate temperatures (443 K). The Royal Society of Chemistry.

Hydrogenation of acetone on technetium catalysts

Rimar,Pirogova

, p. 398 - 401 (1998)

The catalytic properties of supported mono-and bimetallic catalysts of the Tc/support, M/support, and M-Tc/support types (M = Pt, Pd, Rh, Ru, Ni, Re, Co; supports are γ-Al2O3, MgO, SiO2) were investigated in the acetone hydrogenation. The main products of this reaction are isopropyl alcohol and propane. The catalytic activity in the acetone hydrogenation of the metals studied decreases in the consequence Pt > Tc ≈ Rh > Pd > Ru > Ni ≈ Re > Co (with γ-Al2O3 as the support). The influence of support nature on the catalytic activity was investigated for the Rh-Tc system as an example. A nonadditive increase in the catalytic activity of Rh-Tc/γ-Al203 in comparison with monometallic catalysts was found. The state of the surface of the catalysts was characterized by the UV-VIS diffuse reflectance spectra.

EFFECT OF ISOTOPE SUBSTITUTION ON THE MAGNITUDE OF NONEQUILIBRIUM NUCLEAR POLARIZATION IN PHOTOLYSIS OF ACETONE IN METHANOL

Skakovskii, E. D.,Tychinskaya, L. Yu.,Rykov, S. V.,Yankelevich, A. Z.

, p. 2456 - 2459 (1989)

Polarization of nuclei in both the products of the reactions and in the CHD2OD proton without polarization in the CH3OH protons is observed in irradiation of a solution of acetone in CD3OD in the presence of CHD2OD and CH3OH.Polarization of the protons of the products is strongly dependent on the temperature of the solution and arises in radical pairs; polarization of the proton of partially deuterated methyl alcohol is due to a mechanism of optical nuclear polarization.It was hypothesized that the isotope effect is due to a difference in proton and electron relaxation and to a difference in the rates of cross-relaxation transitions.

Dubey, R. K.,Singh, A.,Mehrotra, R. C.

, p. 169 - 176 (1988)

Ruthenium carbonyl carboxylate complexes with nitrogen-containing ligands III. Catalytic activity in hydrogenation

Frediani, Piero,Bianchi, Mario,Salvini, Antonella,Guarducci, Roberto,Carluccio, Luciano C.,Piacenti, Franco

, p. 187 - 198 (1995)

Several mononuclear and dinuclear ruthenium carbonyl acetate complexes containing bipyridine or phenanthroline have been tested as catalysts in the hydrogenation of alkenes, alkynes and ketones.They are active in polar solvents and in water and the nitrogen-containing ligands are unaltered at the end of the hydrogenation.Keywords: Ruthenium; Carbonyl complexes; N-donors; Hydrogenation; Catalysis; Homogeneous

The role played by acid and basic centers in the activity of biomimetic catalysts of the catalase, peroxidase, and monooxidase reactions

Magerramov,Nagieva

, p. 1895 - 1900 (2010)

The acid-basic centers of heterogeneous carriers of catalase, peroxidase, and monooxigenase biomimetics, in particular, iron protoporphyrin deposited on active or neutral aluminum magnesium silicate, were studied. The catalytic activity of biomimetics was stabilized, which allowed us not only to synthesize fairly effective biomimetics but also to clarify certain details of the mechanism of their action and perform a comparative analysis of the functioning of biomimetics and the corresponding enzymes.

A Cross-Correlation Mechanism for the Formation of Spin Polarization

Tsentalovich, Yu. P.,Frantsev, A. A.,Doktorov, A. B.,Yurkovskaya, A. V.,Sagdeev, R. Z.

, p. 8900 - 8908 (1993)

Photolysis of acetone in the presence of various hydrogen donors and of 3-hydroxy-3-methyl-2-butanone involves the formation of propan-2-olyl radicals which show both electron and nuclear spin polarization.The electron polarization of the radicals leads to additional nuclear polarization of the reaction products.Transfer of electron to nuclear polarization can occur by cross-relaxation and cross-correlation.The latter is descibed in detail.Experimentally, the mechanisms leads to a formation of net nuclear polarization for symmetrical radical pairs as well as an unusual kinetic behavior of multiplet effects.

Brunelli, M.,Perego, G.,Lugli, G.,Mazzei, A.

, (1979)

Time-Dependent Self-Assembly of Copper(II) Coordination Polymers and Tetranuclear Rings: Catalysts for Oxidative Functionalization of Saturated Hydrocarbons

Costa, Ines F. M.,Kirillova, Marina V.,André, Vania,Fernandes, Tiago A.,Kirillov, Alexander M.

supporting information, p. 14491 - 14503 (2021/07/19)

This study describes a time-dependent self-assembly generation of new copper(II) coordination compounds from an aqueous-medium reaction mixture composed of copper(II) nitrate, H3bes biobuffer (N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid), ammonium hydroxide, and benzenecarboxylic acid, namely, 4-methoxybenzoic (Hfmba) or 4-chlorobenzoic (Hfcba) acid. Two products were isolated from each reaction, namely, 1D coordination polymers [Cu3(μ3-OH)2(μ-fmba)2(fmba)2(H2O)2]n (1) or [Cu2(μ-OH)2(μ-fcba)2]n (2) and discrete tetracopper(II) rings [Cu4(μ-Hbes)3(μ-H2bes)(μ-fmba)]·2H2O (3) or [Cu4(μ-Hbes)3(μ-H2bes)(μ-fcba)]·4H2O (4), respectively. These four compounds were obtained as microcrystalline air-stable solids and characterized by standard methods, including the single-crystal X-ray diffraction. The structures of 1 and 2 feature distinct types of metal-organic chains driven by the μ3- or μ-OH- ligands along with the μ-benzenecarboxylate linkers. The structures of 3 and 4 disclose the chairlike Cu4 rings assembled from four μ-bridging and chelating aminoalcoholate ligands along with μ-benzenecarboxylate moieties playing a core-stabilizing role. Catalytic activity of 1-4 was investigated in two model reactions, namely, (a) the mild oxidation of saturated hydrocarbons with hydrogen peroxide to form alcohols and ketones and (b) the mild carboxylation of alkanes with carbon monoxide, water, and peroxodisulfate to generate carboxylic acids. Cyclohexane and propane were used as model cyclic and gaseous alkanes, while the substrate scope also included cyclopentane, cycloheptane, and cyclooctane. Different reaction parameters were investigated, including an effect of the acid cocatalyst and various selectivity parameters. The obtained total product yields (up to 34% based on C3H8 or up to 47% based on C6H12) in the carboxylation of propane and cyclohexane are remarkable taking into account an inertness of these saturated hydrocarbons and low reaction temperatures (50-60 °C). Apart from notable catalytic activity, this study showcases a novel time-dependent synthetic strategy for the self-assembly of two different Cu(II) compounds from the same reaction mixture.

Hydrogen-Catalyzed Acid Transformation for the Hydration of Alkenes and Epoxy Alkanes over Co-N Frustrated Lewis Pair Surfaces

Deng, Qiang,Deng, Shuguang,Gao, Ruijie,Li, Xiang,Tsang, Shik Chi Edman,Wang, Jun,Zeng, Zheling,Zou, Ji-Jun

, p. 21294 - 21301 (2021/12/17)

Hydrogen (H2) is widely used as a reductant for many hydrogenation reactions; however, it has not been recognized as a catalyst for the acid transformation of active sites on solid surface. Here, we report the H2-promoted hydration of alkenes (such as styrenes and cyclic alkenes) and epoxy alkanes over single-atom Co-dispersed nitrogen-doped carbon (Co-NC) via a transformation mechanism of acid-base sites. Specifically, the specific catalytic activity and selectivity of Co-NC are superior to those of classical solid acids (acidic zeolites and resins) per micromole of acid, whereas the hydration catalysis does not take place under a nitrogen atmosphere. Detailed investigations indicate that H2 can be heterolyzed on the Co-N bond to form Hδ-Co-N-Hδ+ and then be converted into OHδ-Co-N-Hδ+ accompanied by H2 generation via a H2O-mediated path, which significantly reduces the activation energy for hydration reactions. This work not only provides a novel catalytic method for hydration reactions but also removes the conceptual barriers between hydrogenation and acid catalysis.

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