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N-hexane, Hexane, CAS: 110-54-3, Normal Hexane,
Cas No: 110-54-3
No Data 1 Metric Ton Metric Ton/Day Nanjing Yuance Industry&Trade Co., Ltd. Contact Supplier
Hexane
Cas No: 110-54-3
No Data 1 Metric Ton 30 Metric Ton/Month SHANGHAI RC CHEMICALS CO.,LTD. Contact Supplier
High quality Hexane supplier in China
Cas No: 110-54-3
No Data 1 Metric Ton 30 Metric Ton/Month Simagchem Corporation Contact Supplier
Top purity N-HEXANE with high quality and best price cas:110-54-3
Cas No: 110-54-3
USD $ 3.0-10.0 / Kilogram 1 Kilogram 99999 Kilogram/Year Hangzhou Dingyan Chem Co., Ltd Contact Supplier
Hexane
Cas No: 110-54-3
USD $ 12.0-12.0 / Kilogram 1 Kilogram 2000 Metric Ton/Year Jinan Finer Chemical Co., Ltd Contact Supplier
N-hexane, Hexane, CAS: 110-54-3
Cas No: 110-54-3
USD $ 1.0-3.0 / Metric Ton 1 Metric Ton 10 Metric Ton/Day Hebei yanxi chemical co.,LTD. Contact Supplier
medical grade Hexane CAS#110-54-3
Cas No: 110-54-3
USD $ 3.6-3.6 / Kilogram 100 Kilogram 2000 Metric Ton/Month ORCHID CHEMICAL SUPPLIES LTD Contact Supplier
Hexane Anhydrous
Cas No: 110-54-3
No Data 1 Kilogram 20 Metric Ton/Month Henan Allgreen Chemical Co.,Ltd Contact Supplier
Hexane
Cas No: 110-54-3
USD $ 2.0-3.0 / Kilogram 1 Kilogram 50 Metric Ton/Day EAST CHEMSOURCES LIMITED Contact Supplier
Factory Supply Hexane
Cas No: 110-54-3
No Data 1 1 Ality Chemical Corporation Contact Supplier

110-54-3 Usage

Chemical Properties

n-Hexane is a highly flammable liquid, usually isolated from crude oil, and has extensive industrial applications as a solvent in adhesive bandage factories and other industries. It is highly toxic, triggering several adverse health effects, i.e., nausea, skin irritation, dizziness, numbness of limbs, CNS depression, vertigo, and respiratory tract irritation to animals and humans. Occupational exposure of industrial workers has demonstrated motor polyneuropathy. Workers associated with long-term glue sniffi ng showed adverse effects in the form of degeneration of axons and nerve terminals.

Chemical Properties

n-Hexane is a highly flammable, colorless, volatile liquid with a gasoline-like odor. The water/odor threshold is 0.0064 mg/L and the air/odor threshold is 230 875 milligram per cubic meter.

Physical properties

Clear, colorless, very flammable liquid with a faint, gasoline-like odor. An odor threshold concentration of 1.5 ppmv was reported by Nagata and Takeuchi (1990).

Uses

Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing.

Uses

Suitable for HPLC, spectrophotometry, environmental testing

Uses

n-Hexane is a chief constituent of petroleumether, gasoline, and rubber solvent. It is usedas a solvent for adhesives, vegetable oils,and in organic analysis, and for denaturingalcohol.

Definition

ChEBI: An unbranched alkane containing six carbon atoms.

General Description

Clear colorless liquids with a petroleum-like odor. Flash points -9°F. Less dense than water and insoluble in water. Vapors heavier than air. Used as a solvent, paint thinner, and chemical reaction medium.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

HEXANE may be sensitive to light. Hexane may also be sensitive to prolonged exposure to heat. Hexane can react vigorously with oxidizing materials. This would include compounds such as liquid chlorine, concentrated O2, sodium hypochlorite and calcium hypochlorite. Hexane is also incompatible with dinitrogen tetraoxide. Hexane will attack some forms of plastics, rubber and coatings. .

Hazard

Flammable, dangerous fire risk.

Health Hazard

n-Hexane is a respiratory tract irritant andat high concentrations a narcotic. Its acutetoxicity is greater than that of n-pentane.Exposure to a concentration of 40,000 ppmfor an hour caused convulsions and death inmice. In humans a 10-minute exposure toabout 5000 ppm may produce hallucination,distorted vision, headache, dizziness, nausea,and irritation of eyes and throat. Chronicexposure to n-hexane may cause polyneuritis.The metabolites of n-hexane injected inguinea pigs were reported as 2,5- hexanedioneand 5-hydroxy-2-hexanone, which arealso metabolites of methyl butyl ketone(DiVincenzo et al. 1976). Thus methyl butylketone and n- hexane should have similartoxicities. The neurotoxic metabolite, 2,5-hexanedione, however, is produced considerablyless in n-hexane. However, in the caseof hexane, the neurotoxic metabolite 2,5-hexanedione is produced to a much lesserextent. Continuous exposure to 250 ppmn-hexane produced neurotoxic effects in animals. Occupational exposure to 500 ppmmay cause polyneuropathy (ACGIH 1986).Inhalation of n-hexane vapors have shownreproductive effects in rats and mice.

Flammability and Explosibility

Hexane is extremely flammable (NFPA rating = 3), and its vapor can travel a considerable distance to an ignition source and "flash back." Hexane vapor forms explosive mixtures with air at concentrations of 1.1 to 7.5 % (by volume). Hydrocarbons of significantly higher molecular weight have correspondingly higher vapor pressures and therefore present a reduced flammability hazard. Carbon dioxide or dry chemical extinguishers should be used for hexane fires.

Chemical Reactivity

Reactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Potential Exposure

n-Hexane is industrial chemical, emul sifier, in manufacture of plastics, resins; as a solvent, par ticularly in the extraction of edible fats and oils; as a laboratory reagent; and as the liquid in low temperature thermometers. Technical and commercial grades consist of 45 85% hexane, as well as cyclopentanes, isohexane, and 1% to 6% benzene.

Carcinogenicity

Male rabbits exposed to 3000 ppm hexane (8 h/day, 6 days/week for 24 weeks) developed papillary proliferation of nonciliated bronchiolar cells. No tumors were found in mice painted with hexane and croton oil as cocarcinogen, presumably for the lifetime of each animal. Hexane is inactive as a tumorpromoting agent.

Source

In diesel engine exhaust at a concentration of 1.2% of emitted hydrocarbons (quoted, Verschueren, 1983). A constituent in gasoline. Harley et al. (2000) analyzed the headspace vapors of three grades of unleaded gasoline where ethanol was added to replace methyl tert-butyl ether. The gasoline vapor concentrations of hexane in the headspace were 4.31 wt % for regular grade, 3.74.8 wt % for midgrade, and 2.3 wt % for premium grade. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 1.82 and 268 mg/km, respectively (Schauer et al., 2002).

Environmental fate

Biological. Hexane may biodegrade in two ways. The first is the formation of hexyl hydroperoxide, which decomposes to 1-hexanol followed by oxidation to hexanoic acid. The other pathway involves dehydrogenation to 1-hexene, which may react with water giving 1-hexanol (Dugan, 1972). Microorganisms can oxidize alkanes under aerobic conditions (Singer and Finnerty, 1984). The most common degradative pathway involves the oxidation of the terminal methyl group forming 1-hexanol. The alcohol may undergo a series of dehydrogenation steps forming a hexanal followed by oxidation to form hexanoic acid. The fatty acid may then be metabolized by β-oxidation to form the mineralization products, carbon dioxide and water (Singer and Finnerty, 1984). Photolytic. An aqueous solution irradiated by UV light at 50 °C for 1 d resulted in a 50.51% yield of carbon dioxide (Knoevenagel and Himmelreich, 1976). Synthetic air containing gaseous nitrous acid and exposed to artificial sunlight (λ = 300–450 nm) photooxidized hexane into two isomers of hexyl nitrate and peroxyacetal nitrate (Cox et al., 1980). Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor.

storage

hexane should be used only in areas free of ignition sources, and quantities greater than 1 liter should be stored in tightly sealed metal containers in areas separate from oxidizers.

Shipping

UN1208 Hexanes, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Purify as for n-heptane. Modifications include the use of chlorosulfonic acid or 35% fuming H2SO4 instead of conc H2SO4 in washing the alkane, and final drying and distilling from sodium hydride. Unsaturated impurities can be removed by shaking the hexane with nitrating acid (58% H2SO4, 25% conc HNO3, 17% water, or 50% HNO3, 50% H2SO4), then washing the hydrocarbon layer with conc H2SO4, followed by H2O, drying, and distilling over sodium or n-butyl lithium. It can also be purified by distillation under nitrogen from sodium benzophenone ketyl solubilised with tetraglyme. Also purify it by passage through a silica gel column followed by distillation [Kajii et al. J Phys Chem 91 2791 1987]. It is a FLAMMABLE liquid and a possible nerve toxin. [Beilstein 1 IV 338.] Rapid purification: Distil, discarding the first forerun and stored over 4A molecular sieves.

Toxicity evaluation

Identification of 2,5-hexanedione as the major neurotoxic metabolite of n-hexane proceeded rapidly after its discovery as a urinary metabolite. 2,5-Hexanedione has been found to produce a polyneuropathy indistinguishable from n-hexane. 2,5-Hexanedione is many times more potent than n-hexane, the parent compound, in causing neurotoxicity in experimental animals. It appears that the neurotoxicity of 2,5-hexanedione resides in its γ-diketone structure since 2,3-, 2,4-hexanedione and 2,6-heptanedione are not neurotoxic, while 2,5-heptanedione and 3,6-octanedione and other g-diketones are neurotoxic.

Incompatibilities

May form explosive mixture with air. Contact with strong oxidizers may cause fire and explo sions. Contact with dinitrogen tetraoxide may explode @ 28℃.Attacks some plastics, rubber and coatings. May accumulate static electrical charges, and may cause ignition of its vapors.

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
InChI:InChI=1/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

110-54-3 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Alfa Aesar (43263)  n-Hexane, anhydrous    110-54-3 250ml 354.0CNY Detail
Alfa Aesar (43263)  n-Hexane, anhydrous    110-54-3 1L 773.0CNY Detail
Alfa Aesar (43263)  n-Hexane, anhydrous    110-54-3 4L 1804.0CNY Detail
Alfa Aesar (47104)  n-Hexane, anhydrous, over molecular sieves, packaged under argon in resealable ChemSeal? bottles    110-54-3 250ml 483.0CNY Detail
Alfa Aesar (47104)  n-Hexane, anhydrous, over molecular sieves, packaged under argon in resealable ChemSeal? bottles    110-54-3 1L 937.0CNY Detail
Alfa Aesar (42100)  n-Hexane, Environmental Grade, 95+%    110-54-3 1L 354.0CNY Detail
Alfa Aesar (42100)  n-Hexane, Environmental Grade, 95+%    110-54-3 4L 1162.0CNY Detail
Alfa Aesar (42100)  n-Hexane, Environmental Grade, 95+%    110-54-3 *4x1L 1264.0CNY Detail
Alfa Aesar (42100)  n-Hexane, Environmental Grade, 95+%    110-54-3 *4x4L 4646.0CNY Detail
Alfa Aesar (39199)  n-Hexane, HPLC Grade, 95% min    110-54-3 1L 419.0CNY Detail
Alfa Aesar (39199)  n-Hexane, HPLC Grade, 95% min    110-54-3 2500ml 864.0CNY Detail
Alfa Aesar (39199)  n-Hexane, HPLC Grade, 95% min    110-54-3 4L 1172.0CNY Detail

110-54-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Hexane

1.2 Other means of identification

Product number -
Other names n-Hexane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Hydrocarbons (contain hydrogen and carbon atoms), Volatile organic compounds
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:110-54-3 SDS

110-54-3Synthetic route

1-hexene
592-41-6

1-hexene

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; In tetrahydrofuran at 90℃; under 5250.4 Torr; for 0.166667h; Product distribution; other olefins, other catalysts; var. temp., solv., press., and time;100%
With hydrogen; (iPrPDI)Fe(N2)2 at 20℃; under 3040 Torr; for 19h;100%
With Wilkinson's catalyst; hydrogen In dichloromethane-d2 at 45℃; under 3000.3 Torr; for 6h; Concentration; Reagent/catalyst; Solvent; Temperature; Time; Sealed tube; Inert atmosphere;100%
1-hexene
592-41-6

1-hexene

hydrogen
1333-74-0

hydrogen

hexane
110-54-3

hexane

Conditions
ConditionsYield
With C61H98ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 4h; Reagent/catalyst; Time;100%
With triethylsilane; ReH(NO)2(P(CH(CH3)2)3)2; tris(pentafluorophenyl)borate at 100℃; under 30003 Torr; for 1h; Catalytic behavior; Autoclave;
With triethylsilane; [ReH(NO)2(P(C6H11)3)2]; tris(pentafluorophenyl)borate at 100℃; under 30003 Torr; for 1h; Catalytic behavior; Autoclave;
C26H30CoN4(1+)*ClO4(1-)

C26H30CoN4(1+)*ClO4(1-)

hexane
110-54-3

hexane

Conditions
ConditionsYield
With sulfuric acid; oxygen at 60℃; under 3750.38 Torr; for 12h; Catalytic behavior; Reagent/catalyst;100%
1-hexene
592-41-6

1-hexene

A

trans-2-hexene
4050-45-7

trans-2-hexene

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With Rh complex with phosphoryl-terminated carbosilane dendrimer; hydrogen In acetone at 25℃; under 7500.75 Torr; for 2h; Product distribution; Further Variations:; Reagents;A 0.5%
B 99.5%
With hydrogen; poly-1,2,3-triazolyl ferrocenyl dendrimer-Pd nanoparticle In methanol; chloroform at 25℃; under 760.051 Torr;A 57%
B 43%
With hydrogen; Pd(salen) encapsuled in zeolite X at 25℃; under 400 Torr; for 24h; Product distribution; var. catalysts; cyclohexene;
hex-3-yne
928-49-4

hex-3-yne

A

cis-3-hexene
7642-09-3

cis-3-hexene

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;A 99.5%
B n/a
With bis(pentamethylcyclopentadienyl)titanium(III) hydride; hydrogen In (2)H8-toluene for 0.25h; Sealed tube;A 80%
B 20%
With silica-supported frustrated Lewis pair 3a (HBC6F5)2; (4-hydroxyphenyl)biphenylphosphine; [(SiO)2AliBuEt2O)]) In pentane at 80℃; under 30003 Torr; for 4h; Reagent/catalyst; stereoselective reaction;
1-hexene
592-41-6

1-hexene

cyclohexa-1,4-diene
1165952-92-0

cyclohexa-1,4-diene

A

hexane
110-54-3

hexane

B

cyclohexene
110-83-8

cyclohexene

Conditions
ConditionsYield
With C24H72Ba2N4Si8 In (2)H8-toluene at 120℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube;A 99%
B n/a
oenanthic acid
111-14-8

oenanthic acid

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; silica gel; palladium at 330℃; Ni/Al2O3, 180 deg C;98%
With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; diphenyldisulfane In 2,2,2-trifluoroethanol; ethyl acetate at 20℃; for 48h; Irradiation;40%
With barytes
Multi-step reaction with 3 steps
1: borane-d3-tetrahydrofuran / tetrahydrofuran
2: pyridinium dichlorochromate / dichloromethane
3: aldehyde deformylating oxygenase / glycerol / 0.08 h / pH 7.5
View Scheme
2-Hexyne
764-35-2

2-Hexyne

A

3-hexene
592-47-2

3-hexene

B

trans-2-hexene
4050-45-7

trans-2-hexene

C

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; palladium In ethanol at 30℃; under 15200 Torr; Product distribution;A 0.8%
B 98%
C 1.2%
n-hexan-2-one
591-78-6

n-hexan-2-one

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; K-10 montmorillonite; platinum In diethylene glycol dimethyl ether under 37503 Torr; for 20h; Reduction;98%
With hydrogen; aluminum oxide; nickel at 190℃;88%
With hydrogen at 100℃; under 750.075 Torr; for 3h;
Multi-step reaction with 2 steps
1: hydrogen / cyclohexane / 120 °C / 45004.5 Torr
2: hydrogen / cyclohexane / 120 °C / 45004.5 Torr
View Scheme
2,5-hexanedione
110-13-4

2,5-hexanedione

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; K-10 montmorillonite; platinum In diethylene glycol dimethyl ether under 37503 Torr; for 20h; Reduction;98%
Stage #1: 2,5-hexanedione With hydrogen at 120℃; under 20702.1 Torr; for 0.5h;
Stage #2: at 200℃; under 20702.1 Torr; for 5h; Reagent/catalyst;
Multi-step reaction with 2 steps
1: palladium/alumina; hydrogen / 0.5 h / 200 °C / 20702.1 Torr
2: palladium/alumina; hydrogen / 4 h / 200 °C / 20702.1 Torr
View Scheme
1-Iodohexane
638-45-9

1-Iodohexane

η3-allylbis(cyclopentadienyl)titanium(III)

η3-allylbis(cyclopentadienyl)titanium(III)

hexane
110-54-3

hexane

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; Product distribution;97%
2-Hexyne
764-35-2

2-Hexyne

A

cis-2-hexene
7688-21-3

cis-2-hexene

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;A 97%
B n/a
potassium carbonate
584-08-7

potassium carbonate

1-Bromo-2-butyne
3355-28-0

1-Bromo-2-butyne

hexane
110-54-3

hexane

Conditions
ConditionsYield
In ethyl acetate; N,N-dimethyl-formamide96.2%
1-bromo-hexane
111-25-1

1-bromo-hexane

hexane
110-54-3

hexane

Conditions
ConditionsYield
With ammonium chloride; zinc In tetrahydrofuran; water at 20℃; for 3h;95%
With lithium aluminium tetrahydride; 15-crown-5 In benzene at 80℃; for 6h;83%
Stage #1: 1-bromo-hexane With magnesium In diethyl ether
Stage #2: With ammonium chloride In water Further stages.;
37%
With tris-(trimethylsilyl)silane; oxygen at 60℃; for 6h; in sealed vial;81 % Chromat.
Conditions
ConditionsYield
With Bu3Sn4; 2,4,5,7-tetraiodo-6-hydroxy-3-fluorone Mechanism; Product distribution; Irradiation; also other halides;95%
With borohydride exchange resin; nickel diacetate In methanol for 3h; Ambient temperature;98 % Chromat.
1-hexene
592-41-6

1-hexene

benzyl alcohol
100-51-6

benzyl alcohol

A

hexane
110-54-3

hexane

B

Heptanophenone
1671-75-6

Heptanophenone

Conditions
ConditionsYield
With 5-hexyl-2,4,6-triaminopyrimidine; 5-[4-(Ph2P)benzyl]-5-ethyl-2,4,6-(1H,3H,5H)-pyrimidinetrione; substituted barbituric acid aminopyridine-containing reagent; [Rh(coe)2Cl]2; cyclohexylamine In 1,4-dioxane; phenol at 150℃; for 2h;A n/a
B 95%
5-Hydroxymethyl-5'-formyl-2,2'-bithiophene
170110-95-9

5-Hydroxymethyl-5'-formyl-2,2'-bithiophene

A

5-acetoxymethyl-5'-formyl-2,2'-bithiophene

5-acetoxymethyl-5'-formyl-2,2'-bithiophene

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With pyridine; acetic anhydride In water; ethyl acetateA n/a
B 95%
With pyridine; acetic anhydride In water; ethyl acetateA n/a
B 95%
hexan-1-ol
111-27-3

hexan-1-ol

A

hexane
110-54-3

hexane

B

pentane
109-66-0

pentane

Conditions
ConditionsYield
With hydrogen; aluminum oxide; nickel at 120℃;A 5%
B 94%
With hydrogen In n-heptane at 199.84℃; under 22502.3 Torr; Kinetics; Autoclave;
n-hexan-2-ol
626-93-7

n-hexan-2-ol

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; aluminum oxide; nickel at 180℃;91%
With hydrogen In n-heptane at 119.84℃; under 51005.1 Torr; for 1h; Kinetics; Autoclave; Inert atmosphere;
With hydrogen In cyclohexane at 120℃; under 45004.5 Torr; Catalytic behavior; Reagent/catalyst;
hex-1-yne
693-02-7

hex-1-yne

A

1-hexene
592-41-6

1-hexene

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;A 91%
B n/a
With hydrogen; platinum In ethanol at 30℃; under 15200 Torr; Product distribution; 80 atm;A 41.7%
B 57.3%
With hydrogen; Ni(C17H35COO)2; triethylaluminum In toluene at 40℃; Kinetics; Object of study: selectivity;
3-chloropropyl dichloromethylsilane

3-chloropropyl dichloromethylsilane

vinylmagnesium chloride
3536-96-7

vinylmagnesium chloride

hexane
110-54-3

hexane

Conditions
ConditionsYield
In tetrahydrofuran91%
hex-1-yne
693-02-7

hex-1-yne

A

cis-2-hexene
7688-21-3

cis-2-hexene

B

trans-2-hexene
4050-45-7

trans-2-hexene

C

hexane
110-54-3

hexane

Conditions
ConditionsYield
With hydrogen; palladium In ethanol at 30℃; under 15200 Torr; Product distribution;A 3.8%
B 90.2%
C 6%
p-aminomethylbenzoic acid
56-91-7

p-aminomethylbenzoic acid

2,2-diphenyl ethanol
1883-32-5

2,2-diphenyl ethanol

A

4-[2,2-(diphenyl)ethoxycarbamoyl-methyl]benzoic acid

4-[2,2-(diphenyl)ethoxycarbamoyl-methyl]benzoic acid

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
With CDI In tetrahydrofuran; sodium hydroxideA 90%
B n/a
pyrrolidine
123-75-1

pyrrolidine

3,3-dimethyl-D-cysteine
52-67-5

3,3-dimethyl-D-cysteine

A

4-carboxy-2,5,5-trimethylthiazolidine-2-acetopyrrolidide

4-carboxy-2,5,5-trimethylthiazolidine-2-acetopyrrolidide

B

hexane
110-54-3

hexane

Conditions
ConditionsYield
In benzeneA 90%
B n/a
1-hexene
592-41-6

1-hexene

A

hexane
110-54-3

hexane

B

2-hexene
592-43-8

2-hexene

Conditions
ConditionsYield
With RuHCl(PPh3)((CH3OCH2CH2)2Im)(SIMes2); hydrogen at 100℃; under 3000.3 Torr; for 4h; Concentration; Reagent/catalyst; Solvent; Temperature; Time; Sealed tube; Inert atmosphere;A 13%
B 87%
With hydrogen; Polymer-bound Ni2-catalyst at 100℃; under 51714.8 Torr; for 3h; Product distribution; Other catalyst;A 77%
B 11%
With hydrogen In ethanol; toluene at 40℃; under 2625.26 Torr; for 2h; Catalytic behavior; Inert atmosphere;A 72%
B 28%
1-hexene
592-41-6

1-hexene

4-Methoxybenzyl alcohol
105-13-5

4-Methoxybenzyl alcohol

A

hexane
110-54-3

hexane

B

1-(4-methoxyphenyl)-1-heptanone
69287-13-4

1-(4-methoxyphenyl)-1-heptanone

Conditions
ConditionsYield
With 5-hexyl-2,4,6-triaminopyrimidine; substituted barbituric acid aminopyridine-containing reagent; triphenylphosphine; [Rh(coe)2Cl]2; cyclohexylamine In 1,4-dioxane at 150℃;A n/a
B 87%
1-hexene
592-41-6

1-hexene

4-(trifluoromethyl)benzylic alcohol
349-95-1

4-(trifluoromethyl)benzylic alcohol

A

hexane
110-54-3

hexane

B

1-[4-(trifluoromethyl)phenyl]heptan-1-one

1-[4-(trifluoromethyl)phenyl]heptan-1-one

Conditions
ConditionsYield
With 5-hexyl-2,4,6-triaminopyrimidine; substituted barbituric acid aminopyridine-containing reagent; triphenylphosphine; [Rh(coe)2Cl]2; cyclohexylamine In 1,4-dioxane at 150℃;A n/a
B 86%
aqua{o,o'-bis((dimethylamino)methyl)phenyl}nickel(II) tetrafluoroborate

aqua{o,o'-bis((dimethylamino)methyl)phenyl}nickel(II) tetrafluoroborate

hexane
110-54-3

hexane

Ni(((CH3)2NCH2)2C6H3)(H2O)(1+)*BF4(1-)*0.167C6H14 = [Ni(C6H3(CH2N(CH3)2)2)(H2O)][BF4]*0.167C6H14

Ni(((CH3)2NCH2)2C6H3)(H2O)(1+)*BF4(1-)*0.167C6H14 = [Ni(C6H3(CH2N(CH3)2)2)(H2O)][BF4]*0.167C6H14

Conditions
ConditionsYield
In hexane; dichloromethane (N2); n-hexane added dropwise to CH2Cl2 soln. of Ni compd.; (N2); cryst. material obtained; elem. anal.;100%
hexane
110-54-3

hexane

[methyl(hydridotris(3,5-dimethylpyrazolyl)borate)(trimethylphosphine)iridium(III)(N2)][B(3,5-C6H3(CF3)2)4]*(dichloromethane)

[methyl(hydridotris(3,5-dimethylpyrazolyl)borate)(trimethylphosphine)iridium(III)(N2)][B(3,5-C6H3(CF3)2)4]*(dichloromethane)

triphenyl-arsane
603-32-7

triphenyl-arsane

[methyl(hydridotris(3,5-dimethylpyrazolyl)borate)(trimethylphosphine)iridium(III)(AsPh3)][B(3,5-C6H3(CF3)2)4]*(hexane)

[methyl(hydridotris(3,5-dimethylpyrazolyl)borate)(trimethylphosphine)iridium(III)(AsPh3)][B(3,5-C6H3(CF3)2)4]*(hexane)

Conditions
ConditionsYield
In dichloromethane byproducts: N2; CH2Cl2 soln. of AsPh3 (1 equiv.) added to CH2Cl2 soln. of Ir complex at -40°C; stirred for 12 h; filtered through glass fiber filter paper; solvent removed under reducedpressure; hexane diffused into concd. ether soln. at 22°C; elem. anal.;100%
hexane
110-54-3

hexane

(BrC6H4C3HO2H)2C2H2O2C(CH3)2

(BrC6H4C3HO2H)2C2H2O2C(CH3)2

iron(III) chloride
7705-08-0

iron(III) chloride

[(BrC6H4C3HO2)2C2H2O2C(CH3)2]3Fe2*C6H14

[(BrC6H4C3HO2)2C2H2O2C(CH3)2]3Fe2*C6H14

Conditions
ConditionsYield
In methanol in methanol; crystd.(hexane), elem. anal.;100%
hexane
110-54-3

hexane

[(cod)Ir(3-(diphenylphosphino)methyl-5-pyridylpyrazolato)Ir(cod)]BF4
881493-73-8

[(cod)Ir(3-(diphenylphosphino)methyl-5-pyridylpyrazolato)Ir(cod)]BF4

carbon monoxide
201230-82-2

carbon monoxide

[(CO)2Ir(3-(diphenylphosphino)methyl-5-pyridylpyrazolato)Ir(CO)2]BF4*0.4hexane

[(CO)2Ir(3-(diphenylphosphino)methyl-5-pyridylpyrazolato)Ir(CO)2]BF4*0.4hexane

Conditions
ConditionsYield
In dichloromethane soln. Ir-Ir complex in CH2Cl2 was stirred under CO atm. (1 atm.) for 3 hat room temp.; hexane was added, ppt. was washed with ether and dried in vacuo; elem. anal.;100%
1,2-dimethoxyethane
110-71-4

1,2-dimethoxyethane

hexane
110-54-3

hexane

[C6H4-1,2-{NC(t-Bu)N(2,6-Me2C6H3)}2]Yb(THF)
1541157-10-1

[C6H4-1,2-{NC(t-Bu)N(2,6-Me2C6H3)}2]Yb(THF)

triphenyltin chloride
639-58-7

triphenyltin chloride

0.5C4H8O*0.25C6H14*C36H50ClN4O2Yb

0.5C4H8O*0.25C6H14*C36H50ClN4O2Yb

B

hexaphenylditin
1064-10-4

hexaphenylditin

Conditions
ConditionsYield
Stage #1: [C6H4-1,2-{NC(t-Bu)N(2,6-Me2C6H3)}2]Yb(THF); triphenyltin chloride In tetrahydrofuran for 12h; Schlenk technique;
Stage #2: 1,2-dimethoxyethane; hexane Schlenk technique;
A 75%
B 100%
hexane
110-54-3

hexane

C20H21FeN2Na*0.4C4H8O

C20H21FeN2Na*0.4C4H8O

Triphenylphosphine oxide
791-28-6

Triphenylphosphine oxide

C76H72Fe2N4Na2O2P2*0.5C6H14

C76H72Fe2N4Na2O2P2*0.5C6H14

Conditions
ConditionsYield
Stage #1: C20H21FeN2Na*0.4C4H8O; Triphenylphosphine oxide In toluene at 20℃; Inert atmosphere; Schlenk technique;
Stage #2: hexane In toluene at -30 - 20℃; for 24h; Inert atmosphere; Schlenk technique;
100%
hexane
110-54-3

hexane

N2SO4

N2SO4

4-Hydroxyacetophenone
99-93-4

4-Hydroxyacetophenone

2-chloro-ethanol
107-07-3

2-chloro-ethanol

1-(4-(2-hydroxyethoxy)phenyl)ethanone
31769-45-6

1-(4-(2-hydroxyethoxy)phenyl)ethanone

Conditions
ConditionsYield
With potassium carbonate In water; ethyl acetate; N,N-dimethyl-formamide99.4%
hexane
110-54-3

hexane

([PhP(CH2SiMe2NPh)2]Ta)2(μ–η1:η2-N2)(μ-H)2

([PhP(CH2SiMe2NPh)2]Ta)2(μ–η1:η2-N2)(μ-H)2

phenylsilane
694-53-1

phenylsilane

([PhNSiMe2CH2)2PPh]TaH)(μ-H)2(μ-η1:η2-NNSiH2Ph)(Ta[PhNSiMe2CH2)2PPh])*0.5(hexane)

([PhNSiMe2CH2)2PPh]TaH)(μ-H)2(μ-η1:η2-NNSiH2Ph)(Ta[PhNSiMe2CH2)2PPh])*0.5(hexane)

Conditions
ConditionsYield
In toluene under N2; to a stirred soln. of Ta-contg. compd. (0.350 mmol) in toluenewas added phenylsilane (0.350 mmol) in the same solvent; stirring for 2 4 h at -40°C; solvent was removed under vac.; the residue was triturated under hexanesand left overnight; the ppt. was recovered on a glass frit; elem. anal.;99%
di(rhodium)tetracarbonyl dichloride

di(rhodium)tetracarbonyl dichloride

hexane
110-54-3

hexane

C4H2N(C(C6F5)(C4HNHO)C(C6F5)(C4H2NH))2C(C6F5)

C4H2N(C(C6F5)(C4HNHO)C(C6F5)(C4H2NH))2C(C6F5)

(Rh(CO)2)C4H2N(C(C6F5)(C4HNO)C(C6F5)(C4H2NH))(C(C6F5)(C4HNHO)C(C6F5)(C4H2NH))C(C6F5)*1.5C6H14

(Rh(CO)2)C4H2N(C(C6F5)(C4HNO)C(C6F5)(C4H2NH))(C(C6F5)(C4HNHO)C(C6F5)(C4H2NH))C(C6F5)*1.5C6H14

Conditions
ConditionsYield
With CH3COONa In dichloromethane Rh complex and anhydrous sodium acetate added to soln. of dioxopentaphyrin in CH2Cl2, stirred under reflux for 3 h; chromy, (silica gel, CH2Cl2/hexane (4/6)), removal of solvent;99%
chloromethyl(1,5-cyclooctadiene)palladium(II)

chloromethyl(1,5-cyclooctadiene)palladium(II)

hexane
110-54-3

hexane

sodium 2,6-di((2,6-diisopropylphenyl)iminomethyl)-4-methylphenolate

sodium 2,6-di((2,6-diisopropylphenyl)iminomethyl)-4-methylphenolate

[Pd2(/mu.-Cl)Me2(2,6-di((2,6-diisopropylphenyl)iminomethyl)-4-methylphenolate)]*hexane
1156486-95-1

[Pd2(/mu.-Cl)Me2(2,6-di((2,6-diisopropylphenyl)iminomethyl)-4-methylphenolate)]*hexane

Conditions
ConditionsYield
In toluene byproducts: NaCl; (Ar, Schlenk technique); addn. of toluene soln. of 2 equiv. of palladiumcompd. to toluene soln. of phenol deriv., stirring at room temp. for 12 h; evapn., washing with hexane, elem. anal.;99%
hexane
110-54-3

hexane

dichloromethane
75-09-2

dichloromethane

[(pentamethylcyclopentadienyl)2ZrMe(2-(di-tert-butylphosphino)phenoxide)]
1309604-37-2

[(pentamethylcyclopentadienyl)2ZrMe(2-(di-tert-butylphosphino)phenoxide)]

2,6-di-tert-butylpyridininum tetrakis(pentafluorophenyl)borate
1309604-77-0

2,6-di-tert-butylpyridininum tetrakis(pentafluorophenyl)borate

(C5(CH3)5)2ZrClOC6H4P(C(CH3)3)2CH2Cl(1+)*B(C6F5)4(1-)*CH2Cl2*CH3(CH2)4CH3=ZrC35H54Cl2OPB(C6F5)4*CH2Cl2*C6H14

(C5(CH3)5)2ZrClOC6H4P(C(CH3)3)2CH2Cl(1+)*B(C6F5)4(1-)*CH2Cl2*CH3(CH2)4CH3=ZrC35H54Cl2OPB(C6F5)4*CH2Cl2*C6H14

Conditions
ConditionsYield
In dichloromethane (Ar); mixing a solns. of Zr complex and pyridinium salt in CH2Cl2, standing overnight; pouring in hexane, filtration, washing with hexanes, drying in vac., layering a soln. in CH2Cl2 with hexane; elem. anal.;99%
pyridine
110-86-1

pyridine

hexane
110-54-3

hexane

2,6-bis((S)-1-cyclohexyl-4-isopropyl-4,5-dihydro-1H-imidazol-2-yl)phenylchloroplatinum(II)

2,6-bis((S)-1-cyclohexyl-4-isopropyl-4,5-dihydro-1H-imidazol-2-yl)phenylchloroplatinum(II)

silver trifluoromethanesulfonate
2923-28-6

silver trifluoromethanesulfonate

[(2,6-bis((S)-1-cyclohexyl-4-isopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl)Pt(pyridine)][OTf]*0.4C6H14

[(2,6-bis((S)-1-cyclohexyl-4-isopropyl-4,5-dihydro-1H-imidazol-2-yl)phenyl)Pt(pyridine)][OTf]*0.4C6H14

Conditions
ConditionsYield
In pyridine; dichloromethane byproducts: AgCl; Pt complex was reacted with Ag salt (1 equiv.) in presence of pyridine (1 equiv.) in CH2Cl2 at room temp. for 24 h; filtered through Celite; evapd.; chromd. (silica gel plates, CH2Cl2/MeOH, 10/1); elem. anal.;99%
hexane
110-54-3

hexane

C56H52N4Pd
109533-33-7

C56H52N4Pd

Nitrogen dioxide
10102-44-0

Nitrogen dioxide

2-nitro-meso-tetramesitylporphyrinatopalladium(II) hexane 1.25-solvate

2-nitro-meso-tetramesitylporphyrinatopalladium(II) hexane 1.25-solvate

Conditions
ConditionsYield
Stage #1: C56H52N4Pd; Nitrogen dioxide In dichloromethane
Stage #2: hexane In dichloromethane
99%
bis(triphenylphosphine)(carbonyl)rhodium chloride
13938-94-8, 15318-33-9, 16353-77-8

bis(triphenylphosphine)(carbonyl)rhodium chloride

hexane
110-54-3

hexane

N,N-bis((diphenylphosphino)methyl)benzenamine
129880-59-7

N,N-bis((diphenylphosphino)methyl)benzenamine

[RhCl(CO){PhN(CH2PPh2)2}2]*0.5C6H14

[RhCl(CO){PhN(CH2PPh2)2}2]*0.5C6H14

Conditions
ConditionsYield
Stage #1: bis(triphenylphosphine)(carbonyl)rhodium chloride; N,N-bis((diphenylphosphino)methyl)benzenamine In toluene at 20 - 80℃; Inert atmosphere;
Stage #2: hexane Inert atmosphere;
99%
hexane
110-54-3

hexane

cis-[PtCl2(COD)]
12080-32-9

cis-[PtCl2(COD)]

bis(2-isocyanophenyl) phenylphosphonate
1486481-56-4

bis(2-isocyanophenyl) phenylphosphonate

C20H13Cl2N2O3PPt*0.25C6H14

C20H13Cl2N2O3PPt*0.25C6H14

Conditions
ConditionsYield
In dichloromethane for 2h; Schlenk technique; Inert atmosphere;99%
chlorobis(cyclooctene)-iridium(I) dimer

chlorobis(cyclooctene)-iridium(I) dimer

hexane
110-54-3

hexane

C40H34N2P2

C40H34N2P2

C80H68Cl2Ir2N4P4*0.15C6H14

C80H68Cl2Ir2N4P4*0.15C6H14

Conditions
ConditionsYield
Stage #1: chlorobis(cyclooctene)-iridium(I) dimer; C40H34N2P2 In benzene for 72h; Glovebox; Schlenk technique;
Stage #2: hexane Glovebox; Schlenk technique;
99%
hexane
110-54-3

hexane

(2S)-2-(2-propenyl)octanoic acid
213914-70-6

(2S)-2-(2-propenyl)octanoic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium chloride In ethyl acetate98%
hexane
110-54-3

hexane

2-fluorobenzonitrile
394-47-8

2-fluorobenzonitrile

imidazolyl sodium
5587-42-8

imidazolyl sodium

2-imidazol-1-yl-benzonitrile
25373-49-3

2-imidazol-1-yl-benzonitrile

Conditions
ConditionsYield
In chloroform; acetonitrile98%
(tri(p-fluorophenyl)phosphine)3RhCl
25478-56-2

(tri(p-fluorophenyl)phosphine)3RhCl

hexane
110-54-3

hexane

[1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene
141556-42-5

[1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene

[(CN(C6H2(CH3)3)CHCHN(C6H2(CH3)3))Rh(P(C6H4F)3)2Cl]*0.5C6H14

[(CN(C6H2(CH3)3)CHCHN(C6H2(CH3)3))Rh(P(C6H4F)3)2Cl]*0.5C6H14

Conditions
ConditionsYield
In toluene byproducts: P(p-F-Ph)3; (Ar); std. Schlenk technique; ligand (1 equiv.) was added to Rh complex;toluene was added; soln. was stirred for 16 h; concd.; hexane added; cooled at -20°C for 2 h; filtered; residue washed (hexane); dried in vac. overnight;98%
hexane
110-54-3

hexane

2-mercapto-N-methylbenzamide
20054-45-9

2-mercapto-N-methylbenzamide

mercury dichloride

mercury dichloride

Hg(SC6H4CONHCH3)2*0.25C6H14

Hg(SC6H4CONHCH3)2*0.25C6H14

Conditions
ConditionsYield
In methanol (Ar); addn. of HgCl2 to a soln. of ligand in methanol at room temp., stirring for 2 h; concn., addn. of satd. aq. NaCl, filtration, washing ppt. with satd. aq.NaCl, water, recrystn. (methanol); elem. anal.;98%

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110-54-3Downstream Products

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