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281492

Ethyl benzoylacetate

technical grade, 90%

Synonym(s):

Benzoylacetic acid ethyl ester, Ethyl 3-oxo-3-phenylpropionate

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About This Item

Linear Formula:
C6H5COCH2COOC2H5
CAS Number:
94-02-0
Molecular Weight:
192.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24856975
EC Number:
202-295-3
Beilstein/REAXYS Number:
389944
MDL number:
MFCD00009196
Assay:
90%
Form:
liquid
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grade

technical grade

Quality Segment

100

vapor density

6.6 (vs air)

assay

90%

form

liquid

refractive index

n20/D 1.52 (lit.)

bp

265-270 °C (lit.)

solubility

alcohol: miscible, diethyl ether: miscible, water: insoluble

density

1.11 g/mL at 25 °C (lit.)

functional group

ester, ketone, phenyl

SMILES string

CCOC(=O)CC(=O)c1ccccc1

InChI

1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChI key

GKKZMYDNDDMXSE-UHFFFAOYSA-N

General description

Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate. It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives.

Application

Ethyl benzoylacetate was sed in the preparation of:
  • triazipinones
  • ethyl 2-fluoro-2-benzolyacetate
  • 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin
  • benzo[c]furan-4,7-diones
  • iodonium ylides

Packaging

Packaged in glass bottles

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Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

284.0 °F - closed cup

flash_point_c

140 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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