Ethyl benzoylformate

Ethyl benzoylformate Basic information

Product Name:	Ethyl benzoylformate
Synonyms:	RARECHEM AL BI 0384;PHENYLETHYLGLYOXYLATE;PHENYLGLYOXYLIC ACID ETHYL ESTER;alpha-oxo-benzeneaceticaciethylester;Benzenaceticacid,-oxoethylester;Benzeneaceticacid,α-oxo-,ethylester;Ethyl oxophenylacetate;Ethyloxophenylacetate
CAS:	1603-79-8
MF:	C10H10O3
MW:	178.18
EINECS:	216-504-0
Product Categories:	Pharmaceutical Intermediates;Aromatic Esters;Esters;Phenyls & Phenyl-Het;API intermediates;Phenyls & Phenyl-Het
Mol File:	1603-79-8.mol

Ethyl benzoylformate Chemical Properties

Boiling point	138-139 °C/18 mmHg (lit.)
density	1.122 g/mL at 25 °C (lit.)
refractive index	1.515-1.517
Fp	113 °C
storage temp.	Store below +30°C.
form	Liquid
Specific Gravity	1.122
color	Clear colorless to greenish
Water Solubility	Soluble in water 1143 mg/L @ 25°C .
Sensitive	Moisture Sensitive
InChI	InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey	QKLCQKPAECHXCQ-UHFFFAOYSA-N
SMILES	C1(C=CC=CC=1)C(=O)C(=O)OCC
LogP	1.974 (est)
CAS DataBase Reference	1603-79-8(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneacetic acid, «alpha»-oxo-, ethyl ester(1603-79-8)
EPA Substance Registry System	Benzeneacetic acid, .alpha.-oxo-, ethyl ester (1603-79-8)

Safety Information

Hazard Codes	Xi
Safety Statements	24/25
WGK Germany	3
Hazard Note	Moisture Sensitive
TSCA	Yes
HazardClass	IRRITANT
HS Code	29183000

MSDS Information

Provider	Language
Ethyl phenylglyoxylate	English
ACROS	English
ALFA	English

Ethyl benzoylformate Usage And Synthesis

Chemical Properties	clear colorless to greenish liquid
Uses	Ethyl Benzoylformate is a general chemical reagent used in the preparation of diaminoethanediyl bismethylpyridinium salts for designing recyclable organocatalysts.
Application	Ethyl benzoylformate has been used in preparation of 1,5-dihydro-5-deazaflavin derivatives possessing a chiral substituent at N(3) position.
Definition	ChEBI: Ethyl benzoylformate is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a phenylglyoxylic acid.
Synthesis Reference(s)	Journal of the American Chemical Society, 82, p. 918, 1960 The Journal of Organic Chemistry, 50, p. 3573, 1985 DOI: 10.1021/jo00219a025 Tetrahedron Letters, 23, p. 3661, 1982 DOI: 10.1016/S0040-4039(00)88651-7
General Description	Enantioselective hydrogenation of ethyl benzoylformate on Pt/Al₂O₃ modified with dihydrocinchonidine has been studied.

Ethyl benzoylformate Preparation Products And Raw materials

Raw materials

Diethyl ether-->Nitrogen-->Ammonium chloride-->Magnesium-->Diethyl oxalate-->Bromobenzene-->2H-1,4-Benzoxazin-2-one, 3-phenyl--->Benzene, (2-ethoxyethynyl)--->Benzeneacetyl chloride, alpha-oxo- (9CI)-->2-AMINOPHENOL HYDROCHLORIDE-->Ethyl diazophenylacetate-->ETHYL (R)-(-)-MANDELATE-->4,4,4-TRIFLUORO-3-HYDROXY-1-PHENYL-BUT-2-EN-1-ONE-->Benzoylacetonitrile-->TRIPHENYLBOROXIN-->PHENYLGLYOXAL-->Phenylboronic acid-->Ethyl phenylacetate

ETHYL 3-METHOXYBENZOYLFORMATE ETHYL ANTHRANILATE ETHYL 2-METHOXYBENZOYLFORMATE D5-ETHYL BENZOYLFORMATE Ethyl benzoylacetate ETHYL 3-METHYLBENZOYLFORMATE ETHYL 4-ETHOXYBENZOYLFORMATE Ethyl pyruvate ETHYL 4-DIMETHYLAMINOBENZOYLFORMATE ETHYL 2-CARBOETHOXYBENZOYLFORMATE ETHYL 4-METHYLBENZOYLFORMATE ETHYL 3-CARBOETHOXYBENZOYLFORMATE ISOXADIFEN-ETHYL ETHYL 4-METHOXYBENZOYLFORMATE ETHYL 2-(9-ANTHRYL)-2-OXOACETATE ETHYL 3,5-DIMETHYLBENZOYLFORMATE Stearoylbenzoylmethane ETHYL 2-METHYLBENZOYLFORMATE

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