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:
Molecular Weight:
192.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-295-3
Beilstein/REAXYS Number:
389944
MDL number:
Assay:
90%
Form:
liquid
grade
technical grade
Quality Level
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)
Regulatory Information
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Kuang-Po Chen et al.
Organic & biomolecular chemistry, 7(19), 4074-4081 (2009-09-19)
A manganese(III)-mediated reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds that produces benzo[c]furan-4,7-diones and anthracene-1,4-diones with high chemoselectivity is described. With ethyl butyrylacetate, by changing the solvent, benzo[c]furan-4,7-diones and anthracene-1,4-diones can be generated in high chemoselectivities. With ethyl benzoylacetate, N ,N-dimethyl acetoacetamide
Ugo Battaglia et al.
Journal of natural products, 73(11), 1938-1939 (2010-09-15)
A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed by condensation with ethyl acetoacetate to form the pyrimidone ring.
Asymmetric synthesis of both enantiomers of fluoxetine via microbiological reduction of ethyl benzoylacetate.
Chenevert R, et al.
Tetrahedron, 48(33), 6769-6776 (1992)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 281492-100ML | 04061826219768 |
| 281492-500ML | 04061836691707 |
| 281492-5ML | 04061836683818 |