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Name |
Benzoylformic acid |
EINECS | 210-278-7 |
CAS No. | 611-73-4 | Density | 1.298 g/cm3 |
PSA | 54.37000 | LogP | 0.95390 |
Solubility | methanol: 0.1 g/mL, clear | Melting Point |
60-69 °C |
Formula | C8H6O3 | Boiling Point | 258.6 °C at 760 mmHg |
Molecular Weight | 150.134 | Flash Point | 124.4 °C |
Transport Information | N/A | Appearance | white to light yellow adhering crystals |
Safety | 26-28-36-28A-24-22 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Glyoxylicacid, phenyl- (6CI,7CI,8CI);2-Oxo-2-phenylacetic acid;2-Oxo-2-phenylethanoicacid;Benzoylformic acid;CAA 0869;Formic acid, benzoyl-;LFC 1849;NSC 28293;Oxophenylacetic acid;Phenylgloxylic acid;Phenylglyoxylic acid;Phenyloxoacetic acid;a-Ketophenylacetic acid;a-Oxobenzeneacetic acid; |
Article Data | 360 |
methyl 2-oxo-2-phenylacetate
Benzoylformic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide | 100% |
With water; sodium hydroxide In dichloromethane | 100% |
With water; sodium hydroxide at 20℃; for 2h; | 99.2% |
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; | 100% |
With trifluoroacetic acid at 0℃; for 1h; | 57% |
With trifluoroacetic acid at 0℃; for 5h; |
Conditions | Yield |
---|---|
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 - 912.061 Torr; for 48h; chemoselective reaction; | A 91% B 99% |
Multi-step reaction with 2 steps 1: sodium hydrogencarbonate; ruthenium trichloride; potassium peroxymonosulfate / acetonitrile; water; ethyl acetate / 0.3 h 2: iron(II) perchlorate hexahydrate; tetramethylammonium hydroxide pentahydrate / acetonitrile; water / 12 h / Inert atmosphere View Scheme |
MANDELIC ACID
Benzoylformic acid
Conditions | Yield |
---|---|
With sodium bromate In acetonitrile for 52h; Heating; | 98% |
With oxalyl dichloride; methyl dodecyl sulfoxide; triethylamine In dichloromethane at -60 - 20℃; Swern oxidation; | 96% |
With oxalyl dichloride; methyl dodecyl sulfoxide; triethylamine In dichloromethane at -60 - 20℃; Swern oxidation; | 96% |
5-hydroxy-N,N',5-triphenylimidazolidine-2,4-dione
Benzoylformic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In methanol at 20 - 50℃; for 1h; | 98% |
Conditions | Yield |
---|---|
With sulfuric acid at 100 - 120℃; for 5h; | 96.6% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; iron(III) chloride; thymidyl acetic acid In decane; acetonitrile at 80℃; for 6h; | 96% |
With Oxone; 2-Iodobenzoic acid In water; acetonitrile at 70℃; for 6h; | 94% |
With sodium tetrahydroborate; 1% Pd/C; water; potassium hydroxide In methanol at 20℃; for 15h; In air; | 91% |
With potassium permanganate; acetic acid; Tris(3,6-dioxaheptyl)amine In dichloromethane for 4h; Ambient temperature; | 71% |
aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II)(2+) In phosphate buffer for 6h; pH=7.2; Electrolysis; | 47% |
Conditions | Yield |
---|---|
With tetramethoxytitanium; β-Propiolactone at 60℃; for 2h; Temperature; | 96% |
Multi-step reaction with 5 steps 1.1: hydrogen bromide; dihydrogen peroxide / water / 4.5 h / 25 - 90 °C 2.1: toluene-4-sulfonic acid; benzene / water / 36 h / 85 °C 3.1: tetrabutylammomium bromide; sodium ethanolate / water / 23 h / 105 °C 4.1: oxalic acid / dichloromethane; water / 5 h / 25 °C 5.1: tetrabutylammomium bromide; hydrogen bromide / water / 0.02 h 5.2: 5 h / 25 - 90 °C View Scheme |
Benzoylformic acid
Conditions | Yield |
---|---|
With hydrogenchloride for 2h; Heating; | 94% |
Conditions | Yield |
---|---|
With phosphotungstic acid; ferric nitrate at 55 - 60℃; for 0.166667h; | 93% |
With D-lactate oxidase from Gluconobacter oxydans 621H; oxygen; catalase In aq. buffer at 30℃; pH=7.4; Reagent/catalyst; Enzymatic reaction; | |
With NAD at 30℃; for 48h; pH=9.5; Kinetics; Reagent/catalyst; Temperature; pH-value; Enzymatic reaction; |
1. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04110 . |