375322
Ethyl 2-oxo-4-phenylbutyrate
97%
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About This Item
Linear Formula:
C6H5CH2CH2COCOOCH2CH3
CAS Number:
Molecular Weight:
206.24
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
265-276-9
Beilstein/REAXYS Number:
2725083
MDL number:
Assay:
97%
Form:
liquid
assay
97%
form
liquid
refractive index
n20/D 1.504 (lit.)
bp
132 °C/2 mmHg (lit.)
density
1.091 g/mL at 25 °C (lit.)
functional group
ester, ketone, phenyl
SMILES string
CCOC(=O)C(=O)CCc1ccccc1
InChI
1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI key
STPXIOGYOLJXMZ-UHFFFAOYSA-N
General description
Ethyl 2-oxo-4-phenylbutyrate is an aliphatic α-ketoester. Bioreduction of ethyl 2-oxo-4-phenylbutyrate is reported to yield ethyl (R)-2-hydroxy-4-phenylbutanoate. The effect of ionic liquid on the asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate by Saccharomyces cerevisiae has been reported. Asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate using a bacterial reductase is reported. Enantioselective hydrogenation of ethyl 2-oxo-4-phenylbutyrate using homogeneous Rh-diphosphine and heterogeneous Pt/Al2O3-cinchona catalysts has been reported.
Application
Ethyl 2-oxo-4-phenylbutyrate may be used in the synthesis of ethyl (R)-2-hydroxy-4-phenylbutyrate, an important chiral precursor for angiotensin-converting enzyme (ACE) inhibitor.
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves
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