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64920-29-2

64920-29-2 Structure

64920-29-2 Structure
IdentificationMore
[Name]

Ethyl 2-oxo-4-phenylbutyrate
[CAS]

64920-29-2
[Synonyms]

2-OXO-4-PHENYLBUTANOIC ACID ETHYL ESTER
2-OXO-4-PHENYLBUTYRIC ACID ETHYL ESTER
4-PHENYL-2-OXOBUTYRIC ACID ETHYL ESTER
BENZYLPYRUVIC ACID ETHYL ESTER
ETHYL-2 OXO-4 PHENYL BUTANOATE
ETHYL 2-OXO-4-PHENYLBUTYRATE
ETHYL BENZYLPYRUVATE
KETO ESTER
Benzenebutanoicacid,.alpha.-oxo-,ethylester
ETHYL-2-OXO-4-PHENYLBUTRATE
Ethyl 2-oxo-phenylbutrate (EOPB)
Benzenebutanoic acid, a-oxo-, ethyl ester
Ethyl 2-oxo-4-phenylbutyrate, 90+%
α-Oxobenzenebutanoic acid ethyl ester
α-Oxobenzenebutyric acid ethyl ester
Ethy 2-oxo-4-phenylbutyrate
[EINECS(EC#)]

265-276-9
[Molecular Formula]

C12H14O3
[MDL Number]

MFCD00037533
[Molecular Weight]

206.24
[MOL File]

64920-29-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

132 °C/2 mmHg (lit.)
[density ]

1.091 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.504(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[BRN ]

2725083
[CAS DataBase Reference]

64920-29-2(CAS DataBase Reference)
Questions And AnswerBack Directory
[synthesis]

Potassium tert-butoxide (4.3 g, 38.34 mmol) was added in 1 portion to a solution of the diester (8 g, 25.56 mmol) in toluene (80 mL) at 0 °C. After being stirred at the same temperature for 30 min, the reaction mixture was kept at room temperature overnight. Water (100 mL) was added, the phases were separated, and the aqueous phase was extracted with EtOAc (3 × 100 mL). The combined organic extracts  were dried and evaporated. The residue was purifified by flflash chromatography  eluting with EtOAc:light petroleum (1:9) to give 5.6 g (78%) of the keto-ester as an orange oil.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Enalapril-->Spirapril-->Benzenebutanoic acid, a-hydroxy-, methyl ester-->N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine-->ETHYL (S)-2-HYDROXY-4-PHENYLBUTYRATE-->Ethyl (R)-2-hydroxy-4-phenylbutyrate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 2-oxo-4-phenylbutyrate (64920-29-2).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow oily liquid
[Uses]

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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2-oxo-4-phenylbutyrate(64920-29-2)1HNMR
Ethyl 2-oxo-4-phenylbutyrate(64920-29-2)Raman
Ethyl 2-oxo-4-phenylbutyrate(64920-29-2)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl 2-oxo-4-phenylbutyrate, 90+%(64920-29-2)
[Sigma Aldrich]

64920-29-2(sigmaaldrich)
[TCI AMERICA]

Ethyl 2-Oxo-4-phenylbutyrate,>98.0%(GC)(64920-29-2)
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