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Pharmaceutical Grade Raw Material Drug , Benzoic Acid Powder CAS 65-85-0
Cas No: 65-85-0
USD $ 1.0-2.0 / Gram 10 Gram 12 Kilogram/Day Hubei Jusheng Technology Co., Ltd., Contact Supplier
Benzoic Acid
Cas No: 65-85-0
No Data 1 Kilogram 10000 Metric Ton/Year EAST CHEMSOURCES LIMITED Contact Supplier
API Disinfectant antiseptic benzoic acid cas 65-85-0
Cas No: 65-85-0
USD $ 15.0-15.0 / Gram 10 Gram 20 Metric Ton/Month Hebei Yingong New Material Technology Co.,Ltd . Contact Supplier
Manufacturer Benzoic Acid 65-85-0
Cas No: 65-85-0
USD $ 10.0-90.0 / Kilogram 1 Kilogram 5000 Metric Ton/Year Shanghai Sunwise Chemical Co., Ltd Contact Supplier
Benzoic acid
Cas No: 65-85-0
No Data 25 Kilogram Metric Ton/Day QINGDAO ON-BILLION INDUSTRAIL CO.,LTD Contact Supplier
Benzoic Acid
Cas No: 65-85-0
No Data 10 Metric Ton 20,000 Metric Ton/Day Hebei Lead Bio-Chemicals Co., Ltd. Contact Supplier
High purity BENZOIC ACID with high quality and best price cas:65-85-0
Cas No: 65-85-0
USD $ 1700.0-2500.0 / Metric Ton 1 Metric Ton 99999 Kilogram/Year Hangzhou Dingyan Chem Co., Ltd Contact Supplier
CAS:65-85-0 Benzoic acid
Cas No: 65-85-0
No Data 1 Kilogram 100 Kilogram/Month Kono Chem Co.,Ltd Contact Supplier
Cas : 65-85-0 High Quality 99% Purity Benzoic Acid
Cas No: 65-85-0
USD $ 1.0-3.0 / Metric Ton 1 Metric Ton 10 Metric Ton/Day Hebei yanxi chemical co.,LTD. Contact Supplier
Benzonic acid
Cas No: 65-85-0
No Data 100 Kilogram 5000 Kilogram/Week ORCHID CHEMICAL SUPPLIES LTD Contact Supplier

65-85-0 Usage

Agricultural Uses

Fungicide, Insecticide: Used in the manufacture of benzoates; plasticizers, benzoyl chloride, alkyd resins, in the manufacture of food preservatives, in use as a dye binder in calico printing; in curing of tobacco, flavors, perfumes, dentifrices, standard in analytical chemistry. Not currently registered for use in the U.S. Benzoic acid is currently used in about a dozen European countries.

history

Benzoic acid was found in the 16th century. In 1556, Nostradamus first described carbonization effect of benzoin; After the Alexius Pedemontanus and Brian blessed decipher were discovered in 1560 and 1596. In 1875, the salkowski discovered the antifungal potency of benzoic acid, so benzoic acid is used for long term preservation cloudberry.

Uses

keratolytic

Health Hazard

Dust may be irritating to nose and eyes. At elevated temperatures, fumes may cause irritation of eyes, respiratory system, and skin.

Purification Methods

For use as a volumetric standard, analytical reagent grade benzoic acid should be carefully fused to ca 130o (to dry it) in a platinum crucible, and then powdered in an agate mortar. Benzoic acid has been crystallised from boiling water (charcoal), aqueous acetic acid, glacial acetic acid, *C6H6, aqueous EtOH, pet ether (b 60-80o), and from EtOH solution by adding water. It is readily purified by fractional crystallisation from its melt and by sublimation in a vacuum at 80o. The S-benzylisothiuronium salt has m 167o (from EtOH/H2O). [Beilstein 9 IV 273.]

Reactivity Profile

At high temperature Benzoic acid can react with oxidizing reagents.

food preservatives

Benzoic acid and sodium benzoate are commonly used food preservative. In acidic conditions, it has inhibitory effect on yeast and mold. When pH value is 3 antibacterial strength, when pH was 6 for a lot of mould effect is very poor, so the inhibition the optimum pH value is 2.5-4.0. In the food industry with plastic barrels concentrated fruit and vegetable juice, the maximum usage shall not exceed 2.0g/kg; in the jam (not including canned), fruit juice (taste) drinks, soy sauce, vinegar in the maximum amount is 1.0g/kg; in Wine, candy, wine in the maximum amount of 0.8g/kg in the low salt; pickles, sauces, candied fruit, use the largest 0.5g/kg in carbonate; use the largest beverage 0.2g/kg. because of solubility of benzoic acid, when used will be stirring, or dissolved in a small amount of hot water or ethanol. The use of concentrated fruit juice in the soft drink used for benzoic acid easily volatile with steam, it is commonly used in the sodium salt. Benzoic acid in food industry is a common preservative in dairy products, but not allowed to be added. In general, benzoic acid is considered to be safe. But for some special populations, including infants, long-term intake of benzoic acid may lead to asthma, urticaria, metabolic acidosis and other adverse reactions. Paul deodorant benzoic acid is also used as a beverage. As the cream sweet perfume fragrance. Can also be used for chocolate, lemon, orange, sub berries, nuts, candied fruit and other edible flavor type. Tobacco flavor also commonly used. In addition of benzoic acid is also used as a pesticide, medicine, dye, mordant and plasticizer agent for the production of raw materials, polyamide resin and alkyd resin modifying agent and steel equipment anti rust agent.

Chemical Properties

Benzoic acid,C6H5COOH, also known as benzene carboxylic acid and phenyl formic acid,is a colorless, monoclinic crystalline solid that has a melting point of 122.4"C and sublimes readily at 100·C. It is an aromatic carboxylic acid that is slightly soluble in water and moderately soluble in alcohol and ether. It is used as a preservative and its derivatives are valuable in medicine, commerce, and industry.

Air & Water Reactions

Vapor from molten Benzoic acid may form explosive mixture with air. The finely powdered dry acid is a significant dust explosion hazard [Bretherick, 5th ed., 1995, p. 884]. In air very rapid combustion occurs [Wilson, L.Y. et al., J. Chem. Ed., 1985, 62(10), p. 902]. Slightly soluble in water.

Trade name

RETARDER BA®; MICROL® Preservative; TENN-PLAS®; RETARDEX®; SALVO LIQUID®; SALVO POWDER®; TULSA®

Uses

1. Used as a chemical reagent and preservative.
2. Benzoic acid is important type food preservative. Under acidic conditions, It has inhibitory effects to mold, yeast and bacteria , but the effect is weak acid producing bacteria. The most appropriate antimicrobial pH values is ranging from 2.5 to 4, generally lower, the pH value is appropriate from 4.5 to 5. In the food industry with plastic barrels concentrated fruit and vegetable juice, the maximum use amount shall not be over 2.0g/kg; in jam (excluding canned), (taste) juice drink, soy sauce, vinegar in the maximum dose of 1.0g/kg; in soft candy, wine, wine in the maximum dose of 0.8 g/kg separately; in the low salt pickled vegetables, the sauce, candied fruit, maximum dose is 0.5 g/kg; in carbonated drinks in the largest amount of use is 0.2g/kg. due to benzoic acid, slightly soluble in water, its use can be a small amount of ethanol enable dissolved.
3.Preservative; anti microbial agents.
Due to the low solubility of benzoic acid and use shall be stirring, or dissolved in a small amount of hot water or ethanol. When used in the soft drink with fruit juice concentrate, for benzoic acid easy volatile with the water vapor, so often used in the sodium salt, besides the above sodium equivalent to benzoic acid 0.847g.
4.Often used as a fixative agent or preservative. Also used as a fruit juice aroma conservation agents. As a perfume with perfume fragrance. Can also be used for chocolate, lemon, orange, berries, nuts, candied fruit type edible essence. Tobacco flavor is also commonly used.
5.Benzoic acid and its sodium salt are food preservatives. Under acidic conditions, it has inhibition of yeasts and molds. When pH 3, antibacterial strength and when pH 6, many fungi effect is very poor, so the antibacterial optimum pH is 2.5-4.0. Benzoic acid is mainly used for the production of sodium benzoate preservatives, dyes intermediates, pesticides, plasticizers, mordant, medicine, spice and also can be used as alkyd resin and polyamide resin modifier for the production of polyester, terephthalic acid and used equipment, iron and steel anti rust agent.
6.Mainly used for antifungal and antiseptic.
7.Used in medicine, dye carriers, plasticizer, spices and food preservatives such as production, and can also be used to paint of alkyd resin performance improvement; used as pharmaceutical and dye intermediates, used for the preparation of plasticizer and spices etc., as well as equipment, iron and steel anti rust agent.

Definition

ChEBI: A compound comprising a benzene ring core carrying a carboxylic acid substituent.

Fire Hazard

Behavior in Fire: Vapor from molten Benzoic acid may form explosive mixture with air. Concentrated dust may form explosive mixture.

description

Benzoic acid is the simplest member of the aromatic carboxylic acid family. It is a weak acid that is a precursor for the synthesis of many important organic compounds. More than 90 percent of commercial benzoic acid is converted directly to phenol and caprolactam. Its use in the production of glycol benzoates for the application of plasticizer in adhesive formulations is increasing. The organic compound is also used in the manufacture of alkyd resins and drilling mud additive for crude oil recovery applications. It is also used as a rubber polymerization activator, retardant, resins, alkyd paint, plasticizers, dyestuffs, and fibers. Benzoic acid and its esters occur in apricots, cranberries, mushrooms and jasmine plants. The history of benzoic acid dates back to sixteenth century. In the year of 1875 Salkowski a prominent scientist discovered its antifungal abilities. In medicine, benzoic acid is the principal component of benzoin resin, and is a constituent of Whitfield’s ointment which is used for the treatment of fungal skin diseases such as tinea, ringworm, and athlete’s foot.

General Description

Boric acid,H3B03, also known as boracic acid, orthoboric acid, and sassolite, is a white solid composed of triclinic crystals.It is a derivative of barium oxide and is soluble in water. A white crystalline solid. Slightly soluble in water. The primary hazard is the potential for environmental damage if released. Immediate steps should be taken to limit spread to the environment. Used to make other chemicals, as a food preservative, and for other uses.

Preparation

Industrial preparation method
The industrial benzoic acid is mainly by toluene liquid phase air oxidation preparation. The process was with cobalt naphthenate as catalyst, in response to temperature is 140-160 ℃ and operating pressure is 0.2-0.3MPa and response generation benzoic acid. Reaction after steaming to toluene, and vacuum distillation and recrystallization to obtain the product. The process uses cheap raw materials, high yield. Therefore, it is industrial uses mainly the method.
Laboratory preparation method of the main reaction:
1.C6H5CH3+ KMnO4+H2O-C6H5 COOK+KOH+MnO2+H2O(water in fron of the manganese dioxide is supplied with water reaction environment)
2.C6H5 COOK+HCl--C6H5 COOH
Drug and dosage:
Toluene 1.5g (1.7ml, 0.016mol), potassium permanganate 5g (0.032mol), CTAB(cetyl trimethyl ammonium bromide) 0.1g.
Experimental operation:
With 100 ml round bottom flask. Install a refluxing device. add 5g potassium permanganate, 0.1g of hexadecyl trimethyl ammonium bromide, 1.7 ml of toluene and 50 ml of water to the reaction flask, stir heated boiling (vigorous stirring, violent boiling), keep the reactant solution stable boiling.
When large amounts of brown precipitate, potassium permanganate purple shallow or disappeared, the toluene layer disappeared, reaction has basically ended. Filter out of manganese dioxide precipitation, landfill leachate by concentrated hydrochloric acid, precipitation of benzoic acid precipitation, filtering to the crude product.
The crude product water recrystallization. In a boiling water bath for drying, weighing, measuring the melting point.

Chemical Properties

Scaly or needle like crystals. With the smell of formaldehyde or benzene. Slightly soluble in water, soluble in ethanol, methanol, diethyl ether, chloroform, benzene, toluene, CS2, CCl4 and turpentine.

Hazard

Benzoic acid accumulation is less, low toxicity in the body involved and metabolism. If the excessive consumption of benzoic acid, the body's liver and kidney will be jeopardized. Maximum safety of carbonated drinks of benzoic acid usage is 5mg/kg of body weight, then calculated according to the weight of 60kg, daily limit is 300mg, benzoic acid for carbonated drinks, the maximum amount of use is 0.2g/kg, then drank 1.5kg of beverage is safe.
It has strong toxic effects on microorganisms, but the toxicity of the sodium salt is very low. A daily dose of 0.5g, has no toxicity to the body , even in an amount of not more than 4g of health also has no harm. In human and animal tissues it can bind with protein components of the glycine and detoxification, formed hippuric acid excreted in the urine. Benzoic acid crystallites or dust on the skin, eyes, nose, and throat has stimulating effect. Even if its sodium salt, if you take a lot, also can damage to the stomach. The operator should wear protective equipment. Need to be stored in a dry and ventilated place moisture, heat, away from the fire source.
InChI:InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1

65-85-0 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
Sigma-Aldrich (109479)  Benzoicacid  ReagentPlus®, 99% 65-85-0 109479-3KG 1,482.39CNY Detail
Sigma-Aldrich (109479)  Benzoicacid  ReagentPlus®, 99% 65-85-0 109479-1KG 632.97CNY Detail
Sigma-Aldrich (109479)  Benzoicacid  ReagentPlus®, 99% 65-85-0 109479-500G 427.05CNY Detail
Sigma-Aldrich (427608)  Benzoicacid  purified by sublimation, ≥99% 65-85-0 427608-10G 1,760.85CNY Detail
Sigma-Aldrich (12356)  Benzoicacid  tested according to Ph.Eur. 65-85-0 12356-1KG 1,296.36CNY Detail
Sigma-Aldrich (33045)  Benzoicacid  for calorimetrical determination (approx. 26460 J/g) 65-85-0 33045-100G-R 1,116.18CNY Detail
Vetec (V900076)  Benzoicacid  Vetec reagent grade, 98% 65-85-0 V900076-500G 83.07CNY Detail
Vetec (V900076)  Benzoicacid  Vetec reagent grade, 98% 65-85-0 V900076-250G 51.48CNY Detail
Sigma-Aldrich (242381)  Benzoicacid  ACS reagent, ≥99.5% 65-85-0 242381-3KG 3,987.36CNY Detail
Sigma-Aldrich (242381)  Benzoicacid  ACS reagent, ≥99.5% 65-85-0 242381-500G 924.30CNY Detail
Sigma-Aldrich (242381)  Benzoicacid  ACS reagent, ≥99.5% 65-85-0 242381-100G 480.87CNY Detail
Sigma-Aldrich (242381)  Benzoicacid  ACS reagent, ≥99.5% 65-85-0 242381-25G 315.90CNY Detail

65-85-0SDS

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 benzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Preservatives and Antioxidants
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:65-85-0 SDS

65-85-0Synthetic route

benzaldehyde
100-52-7

benzaldehyde

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With 2,2,2-trichloroethylperoxycarbonic acid; dihydrogen peroxide In dichloromethane Ambient temperature;100%
With potassium hydroxide; oxygen In 1,2-dimethoxyethane at 20℃; for 3.5h;100%
With [Cu2C6H4(CHNCH2CH2N(CH2C5H4N)2)2](2+)*2ClO4(1-)=C36H38Cu2N8(ClO4)2; oxygen In acetone at -90.16℃;100%
benzonitrile
100-47-0

benzonitrile

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With water at 45℃; pH=7.2; Microbiological reaction; aq. buffer;100%
With potassium tert-butylate; water In isopropyl alcohol at 25℃; Inert atmosphere;100%
With benzene-1,2-dicarboxylic acid at 250℃; under 7600 Torr; for 0.25h; microwave irradiation;99%
benzyl alcohol
100-51-6

benzyl alcohol

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With barium permanganate In acetonitrile for 4h; Heating;100%
With iodosylbenzene In water at 20℃; for 30h; Oxidation;100%
With iodosylbenzene In water for 30h; sonication;100%
benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With sodium hydroxide at 166 - 168℃; under 5250.4 Torr; for 0.0166667h; Irradiation;100%
With potassium carbonate; thiophenol In 1-methyl-pyrrolidin-2-one at 190℃; for 0.166667h; Substitution;100%
With potassium hydroxide; Aliquat 336 at 200℃; for 0.0833333h; Product distribution; Further Variations:; Reagents; Solvents; Temperatures; microwave irradiation;98%
phenylethane 1,2-diol
93-56-1

phenylethane 1,2-diol

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With barium permanganate In acetonitrile for 0.5h; Heating;100%
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube;98%
With sodium periodate; manganese(II) 5,10,15,20-tetrakis(N-ethylpyridinium-4-yl)porphyrin In water at 60℃; for 4h;96%
phenacyl benzoate
33868-50-7

phenacyl benzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 2h; Irradiation;100%
With sodium hydrogen telluride In N,N-dimethyl-formamide for 0.333333h; Product distribution; Ambient temperature;1.11 g
With tetrabutyl ammonium fluoride; phenylmethanethiol In tetrahydrofuran Product distribution; various concentrations, other solvent, other thiols; other educts; selective removal of phenacyl ester group in the presence of benzyl and 4-nitrobenzyl ester groups;
benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

A

benzoic acid
65-85-0

benzoic acid

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With aluminum oxide; potassium hydroxide In diethyl ether for 21h; Product distribution; Ambient temperature; other solvent;A 100%
B 80%
vinyl benzoate
583-04-0

vinyl benzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In benzene at 65 - 70℃; for 3h;100%
With Fe3O4@SiO2-[(4-(5-O3Si-pentylcarbamoyl)-2-pyridinecarboxylato)CpRu(η3-C3H5)]PF6 In methanol at 30℃; for 1h; Inert atmosphere; chemoselective reaction;99%
[(cyclopentadienyl)bis(acetonitrile)(triphenylphosphine)ruthenium(II)] hexafluorophosphate In methanol at 25℃; for 6h; Product distribution; Further Variations:; Solvents; Temperatures;98%
benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With hydrogen In methanol at 25℃; for 24h; Reagent/catalyst; Solvent; Temperature; chemoselective reaction;100%
With hydrogen; palladium diacetate; pyrographite In tetrahydrofuran; methanol at 25℃; under 760.051 Torr; for 12h;99%
With hydrogen; palladium diacetate; pyrographite In isopropyl alcohol at 25℃; under 760.051 Torr; for 14h;99%
2-hydroxy-2-phenylacetophenone
119-53-9

2-hydroxy-2-phenylacetophenone

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With NH-pyrazole; air; sodium hydride In tetrahydrofuran for 5h; Ambient temperature;100%
With iodopentafluorobenzene bis(trifluoroacetate) In water; benzene Mechanism;94%
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 48h;94%
benzaldehyde
100-52-7

benzaldehyde

Lithium; (Z)-2-chloro-1-trimethylsilanyl-hex-1-en-1-olate

Lithium; (Z)-2-chloro-1-trimethylsilanyl-hex-1-en-1-olate

A

(Z)-α-butylcinnamaldehyde
128649-19-4

(Z)-α-butylcinnamaldehyde

B

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
at -78℃; for 3h;A 97%
B 100%
at -78℃; for 3h; Mechanism; further α-chloroacyltrimethylsilanes, further aldehydes;A 97%
B 100%
Conditions
ConditionsYield
With sodium perborate In acetic acid for 1.5h; steam bath;100%
With (NMe4)*2H2O*CH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 6h; Ambient temperature;98%
With Oxone; 3,3'-diiodo-2,2',6,6'-tetramethoxy-4,4'-biphenyldicarboxylic acid In nitromethane; water at 30 - 35℃; for 14h;98%
para-chlorobenzoic acid
74-11-3

para-chlorobenzoic acid

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
Stage #1: para-chlorobenzoic acid With palladium/alumina; hydrogen; potassium carbonate In water at 60℃;
Stage #2: With hydrogenchloride In water
100%
With hydrogen; triethylamine; palladium on activated charcoal In methanol at 20℃; for 6h;99%
With ammonium formate In water; isopropyl alcohol at 20℃; for 3h;99%
ortho-chlorobenzoic acid
118-91-2

ortho-chlorobenzoic acid

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With hydrogen; triethylamine; palladium on activated charcoal In methanol at 20℃; for 3h;100%
With borane-ammonia complex In water; isopropyl alcohol at 40℃; for 3h; Sealed tube;97%
With 1H-imidazole; copper ammonium sulphate hexahydrate; lithium tert-butoxide In N,N-dimethyl-formamide; isopropyl alcohol for 72h; Irradiation;87%
1-benzoylimidazole
10364-94-0

1-benzoylimidazole

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With morpholine; water at 20℃; for 0.333333h;100%
With 1H-imidazole; potassium chloride In water; acetonitrile at 25 - 50℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);
3-methyl-2-butenyl benzoate
5205-11-8

3-methyl-2-butenyl benzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With methoxybenzene In toluene for 6h; Heating;100%
With Montmorillonite K-10 clay; toluene for 0.333333h; Dealkylation; Microwave irradiation;98%
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 5h;95%
(1R,9R)-9-Phenyl-10,11,12-trioxa-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(1R,9R)-9-Phenyl-10,11,12-trioxa-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene

A

1,2-bis(3-formyl-4-phenyl)ethane
138771-02-5

1,2-bis(3-formyl-4-phenyl)ethane

B

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With iron(II) sulfate In tetrahydrofuran; water at 20℃; for 16h;A 100%
B 95%
Perbenzoic acid
93-59-4

Perbenzoic acid

bis-benzenesulfenyl-amine
24364-84-9

bis-benzenesulfenyl-amine

A

benzoic acid phenyl ester
93-99-2

benzoic acid phenyl ester

B

biphenyl
92-52-4

biphenyl

C

benzoic acid
65-85-0

benzoic acid

D

diphenyldisulfane
882-33-7

diphenyldisulfane

E

N2, tar

N2, tar

Conditions
ConditionsYield
In benzene Kinetics; Product distribution; Mechanism; isotopic effect, effect of benzoic acid and styrene on the reaction;A 1.4%
B 0.2%
C 100%
D 50%
E n/a
benzoic acid methoxymethyl ester
54354-04-0

benzoic acid methoxymethyl ester

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 1.5h;100%
With bismuth(III) chloride; water In acetonitrile at 50℃; for 2h;89%
(1-nosyl-5-nitroindol-3-yl)methyl benzoate

(1-nosyl-5-nitroindol-3-yl)methyl benzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
Stage #1: (1-nosyl-5-nitroindol-3-yl)methyl benzoate With 2-(N,N-dimethylamino)ethylthiol hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 0.25h; Inert atmosphere;
Stage #2: With hydrogenchloride In diethyl ether; water; acetonitrile Inert atmosphere;
100%
[(6-Ph2TPA)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

[(6-Ph2TPA)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

A

[(6-Ph2TPA)Ni(O2CPh)]ClO4
932703-85-0

[(6-Ph2TPA)Ni(O2CPh)]ClO4

B

phenacyl benzoate
33868-50-7

phenacyl benzoate

C

carbon monoxide
201230-82-2

carbon monoxide

D

benzil
134-81-6

benzil

E

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With oxygenA 100%
B n/a
C n/a
D n/a
E n/a
[(bnpapa)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

[(bnpapa)Ni(PhC(O)C(OH)C(O)Ph)]ClO4

A

phenacyl benzoate
33868-50-7

phenacyl benzoate

B

carbon monoxide
201230-82-2

carbon monoxide

C

[(bnpapa)Ni(O2CPh)]ClO4

[(bnpapa)Ni(O2CPh)]ClO4

D

benzil
134-81-6

benzil

E

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With oxygen In acetonitrile at 20℃;A n/a
B n/a
C 100%
D 12%
E 11 mg
Ca(2-ap)(4-nba)2

Ca(2-ap)(4-nba)2

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With hydrogenchloride In water100%
Benzaldoxime
932-90-1

Benzaldoxime

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide; vanadia In water at 100℃; for 24h;100%
With 2,2'-azinobis(3-ethylbenzthiazolinesulfonate); Trametes versicolor laccase In acetonitrile at 20℃; pH=5; Green chemistry; Enzymatic reaction;20%
1,2-diphenyl-2-oxoethyl benzoate
1459-20-7

1,2-diphenyl-2-oxoethyl benzoate

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With potassium phosphate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ascorbic acid In water; acetonitrile at 20℃; for 1h; Reagent/catalyst; Irradiation;100%
With 2-H-1,3-di-tert-butyl-1,3,2-diazaphosphorinane; 2,2'-azobis(isobutyronitrile); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In toluene at 90℃; for 12h; chemoselective reaction;99%
benzaldehyde dimethyl acetal
1125-88-8

benzaldehyde dimethyl acetal

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With poly((divinylbenzene)-0.5 mol-styrenesulfonic acid) In water; toluene at 80℃; for 24h; Schlenk technique; Inert atmosphere;100%
With 10% Pt/activated carbon; oxygen; sodium hydroxide In water at 80℃; for 24h; Green chemistry; chemoselective reaction;82%
cyclohexanone
108-94-1

cyclohexanone

benzaldehyde
100-52-7

benzaldehyde

A

hexahydro-2H-oxepin-2-one
502-44-3

hexahydro-2H-oxepin-2-one

B

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With oxygen In 1,2-dichloro-ethane at 50℃; for 5h; Catalytic behavior; Reagent/catalyst; Temperature; Time;A 100%
B 100%
aniline
62-53-3

aniline

benzoic acid
65-85-0

benzoic acid

N-phenyl benzoyl amide
93-98-1

N-phenyl benzoyl amide

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 4h;100%
With dmap; 2-chloro-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium trifluoromethanesulfonate; triethylamine In dichloromethane at 20℃; for 4h;100%
With TEA; 1,2-benzisoxazol-3-yl diphenyl phosphate In various solvent(s) for 2h; Ambient temperature;99%
methanol
67-56-1

methanol

benzoic acid
65-85-0

benzoic acid

benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

Conditions
ConditionsYield
With hydrogenchloride In water for 2h; Heating;100%
With sulfuric acid Fischer-Speier esterification method; Reflux;100%
With tetrachloromethane at 20℃; for 72h; UV-irradiation;99%
triethylsilane
617-86-7

triethylsilane

benzoic acid
65-85-0

benzoic acid

triethylsilyl benzoate
1018-20-8

triethylsilyl benzoate

Conditions
ConditionsYield
With indium(III) bromide In dichloromethane-d2 at 20℃;100%
With palladium diacetate In benzene-d6 for 4h; dehydrocoupling reaction; Heating;95%
With zinc(II) chloride In N,N-dimethyl-formamide at 120℃; for 25h;85%
octanol
111-87-5

octanol

benzoic acid
65-85-0

benzoic acid

n-octyl benzoate
94-50-8

n-octyl benzoate

Conditions
ConditionsYield
With bis(5-norbornenyl-2-methyl) azodicarboxylate; polystyrene-supported PPh3 In tetrahydrofuran Esterification; Mitsunobu reaction;100%
With toluene-4-sulfonic acid for 0.05h; Irradiation;97%
With 1-(tert-butyl)-2-(chlorobenzyl) azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 4h; Reagent/catalyst; Mitsunobu Displacement;97.9%
ethanol
64-17-5

ethanol

benzoic acid
65-85-0

benzoic acid

benzoic acid ethyl ester
93-89-0

benzoic acid ethyl ester

Conditions
ConditionsYield
zirconium(IV) oxide at 200℃; var.: 77 deg C, 5 h in liquid-phase;100%
With tetrachloromethane at 20℃; for 72h; UV-irradiation;99%
With alumina methanesulfonic acid at 80℃; for 0.133333h; Microwave irradiation;98%
benzoic acid
65-85-0

benzoic acid

β-naphthol
135-19-3

β-naphthol

2-naphthyl benzoate
93-44-7

2-naphthyl benzoate

Conditions
ConditionsYield
With TiO(acac)2 In xylene for 36h; Heating;100%
Stage #1: benzoic acid With trifluoroacetic anhydride; indium(III) chloride at 20℃;
Stage #2: β-naphthol at 20℃; for 0.166667h;
98%
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane for 1h; Ambient temperature;91%
benzoic acid
65-85-0

benzoic acid

benzyl alcohol
100-51-6

benzyl alcohol

benzoic acid benzyl ester
120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With cyanomethylenetributyl-phosphorane In benzene at 100℃; for 24h;100%
With TiO(acac)2 In xylene for 15h; Heating;100%
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In 1,2-dichloro-ethane at 20℃; for 5h;99%
benzoic acid
65-85-0

benzoic acid

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution;100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Reflux;100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 35℃; for 1h;100%
benzoic acid
65-85-0

benzoic acid

Cyclohexanecarboxylic acid
98-89-5

Cyclohexanecarboxylic acid

Conditions
ConditionsYield
With potassium Sodium; polyethylene oxide In tetrahydrofuran at 0℃; 12 ethylene oxide units/M(+);100%
With hydrogen In water at 100℃; under 15001.5 Torr; for 2h;100%
With C33H49ClNRh; hydrogen In 2,2,2-trifluoroethanol at 20℃; under 51005.1 Torr; for 24h; Autoclave; Molecular sieve;99%
thiophenol
108-98-5

thiophenol

benzoic acid
65-85-0

benzoic acid

phenyl thiobenzoate
884-09-3

phenyl thiobenzoate

Conditions
ConditionsYield
With PPE for 15h; Ambient temperature;100%
With TEA; diphenyl (2,3-dihydro-2-thioxo-3-benzoxazolyl)phosphonate In various solvent(s) for 2h; Ambient temperature;99%
With dmap; picryl fluoride In acetonitrile for 3h; Ambient temperature;98%
1-amino-2-propene
107-11-9

1-amino-2-propene

benzoic acid
65-85-0

benzoic acid

N-allylbenzamide
10283-95-1

N-allylbenzamide

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In tetrahydrofuran at 60℃; Inert atmosphere;100%
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;83%
Stage #1: benzoic acid With chloroformic acid ethyl ester; triethylamine In dichloromethane at 0℃; for 0.5h; Inert atmosphere;
Stage #2: 1-amino-2-propene In dichloromethane Inert atmosphere;
78%
2-phenylethanol
60-12-8

2-phenylethanol

benzoic acid
65-85-0

benzoic acid

2-Phenylethyl benzoate
94-47-3

2-Phenylethyl benzoate

Conditions
ConditionsYield
With TiO(acac)2 In xylene for 15h; Heating;100%
With iron(III)-acetylacetonate In 5,5-dimethyl-1,3-cyclohexadiene for 15h; Inert atmosphere; Reflux;97%
With 4-nitro-diphenylammonium triflate In toluene at 80℃; for 30h;95%
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

benzoic acid
65-85-0

benzoic acid

benzoic acid N-hydroxysuccinimide ester
23405-15-4

benzoic acid N-hydroxysuccinimide ester

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;100%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.166667h;97%
With 3-(5-nitro-2-oxo-1,2-dihydro-1-pyridyl)-1,2-benzisothiazole 1,1,-dioxide; triethylamine In dichloromethane -10 deg C -> r.t., overnight;93%
allyl bromide
106-95-6

allyl bromide

benzoic acid
65-85-0

benzoic acid

vinyl benzoate
583-04-0

vinyl benzoate

Conditions
ConditionsYield
With caesium carbonate In acetonitrile for 0.5h; Heating;100%
With cesium fluoride In acetonitrile for 1.5h; Heating;99%
With potassium fluoride; tetra(n-butyl)ammonium hydrogensulfate In tetrahydrofuran at 20℃; for 3h;99%
α-bromoacetophenone
70-11-1

α-bromoacetophenone

benzoic acid
65-85-0

benzoic acid

phenacyl benzoate
33868-50-7

phenacyl benzoate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile room temperature, 20 min -> reflux, 50 min;100%
With N-ethyl-N,N-diisopropylamine In acetone100%
With potassium carbonate; 1,4-dimethyl-1,2,4-triazolium iodide In acetonitrile at 40℃; for 3h; Schlenk technique;99%
Cholestanol
80-97-7

Cholestanol

benzoic acid
65-85-0

benzoic acid

5α-cholestan-3α-yl benzoate
6030-70-2

5α-cholestan-3α-yl benzoate

Conditions
ConditionsYield
With tributylphosphine; diamide In benzene at 60℃; for 24h; Product distribution; comparison with Mitsunobu reagent; further secondary alcohols and acids;100%
With tributylphosphine; diamide In benzene at 60℃; for 24h;100%
With tributylphosphine; 1,1'-azodicarbonyl-dipiperidine In benzene at 60℃; for 24h;81%
With 4-nitro-phenol; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran for 14h; Ambient temperature;69%
With triphenylphosphine; diethylazodicarboxylate
Dimethyl-(3-methyl-2-butenyl)-sulfonium tetrafluoroborate

Dimethyl-(3-methyl-2-butenyl)-sulfonium tetrafluoroborate

benzoic acid
65-85-0

benzoic acid

α,α-dimethylallyl benzoate
31398-79-5

α,α-dimethylallyl benzoate

Conditions
ConditionsYield
With potassium carbonate; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 20℃; for 17h;100%
With potassium carbonate; copper(I) bromide In dichloromethane at 20℃;92%

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