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Ethyl benzoylformate

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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
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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
Flash point:
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)
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Safety Information

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

MSDS

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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

Ethyl benzoylformateSupplier

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