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64920-29-2

Basic Information
CAS No.: 64920-29-2
Name: Ethyl 2-oxo-4-phenylbutyrate
Article Data: 33
Molecular Structure:
Molecular Structure of 64920-29-2 (Ethyl 2-oxo-4-phenylbutyrate)
Formula: C12H14O3
Molecular Weight: 206.241
Synonyms: 2-Oxo-4-phenylbutanoicacid ethyl ester;2-Oxo-4-phenylbutyric acid ethyl ester;4-Phenyl-2-oxobutyricacid ethyl ester;Ethyl 2-oxo-4-phenylbutanoate;Ethyl 3-benzylpyruvate;Ethyl 4-phenyl-2-ketobutyrate;Ethyl4-phenyl-2-oxobutanoate;Ethyl benzylpyruvate;
EINECS: 265-276-9
Density: 1.091 g/cm3
Boiling Point: 309 °C at 760 mmHg
Flash Point: 140 °C
Appearance: Pale yellow or yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 23-24/25-36/37-26
PSA: 43.37000
LogP: 1.75140
Synthetic route
93921-85-8

ethyl 2-hydroxy-4-phenylbutanoate

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; calcium methylate In acetonitrile at 0 - 20℃;99%
With 4-hydroxy-TEMPO benzoate; sodium acetate In dichloromethane98%
With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h;94%
55674-14-1

(Z)-ethyl 2-oxo-4-phenyl-3-butenoate

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
98%

(4-Ethoxybut-3-enyl)benzene

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With potassium permanganate; sodium hydrogencarbonate; magnesium sulfate In water; acetone at 23℃; for 0.0833333h;93%
943-73-7

D-homophenylalanine

141-78-6

ethyl acetate

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With hydrogenchloride; sodium hypochlorite; tetrabutylammomium bromide In water at 0 - 40℃; Product distribution / selectivity;84.1%
17451-20-6, 55674-14-1, 55629-96-4

(E)-ethyl-2-oxo-4-phenylbut-3-enoate

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 1-propyl-1,4-dihydronicotinamide; magnesium(II) perchlorate In acetonitrile Ambient temperature;82%
64-17-5

ethanol

67333-73-7

1-nitro-4-phenylbutan-2-one

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate for 1h; Reflux;80%
103-63-9

1-phenyl-2-bromoethane

95-92-1

oxalic acid diethyl ester

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 1-phenyl-2-bromoethane With magnesium In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -78℃; for 2h; Inert atmosphere;
79%
Stage #1: 1-phenyl-2-bromoethane With magnesium In tetrahydrofuran for 1h; Reflux; Inert atmosphere;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -10℃; for 1.5h; Inert atmosphere;
Stage #3: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;
60%
Stage #1: 1-phenyl-2-bromoethane With iodine; magnesium In tetrahydrofuran for 1h; Reflux;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -78 - 0℃; for 1h;
50%
3277-89-2

phenethylmagnesium bromide

220332-87-6

ethyl 3,5-dimethyl-1-pyrazolylglyoxylate

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In diethyl ether at -90℃; for 1h;76%
64-17-5

ethanol

70102-85-1

3-oxo-5-phenyl-pentanenitrile

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene In dichloromethane for 2h; Reflux;57%
3277-89-2

phenethylmagnesium bromide

95-92-1

oxalic acid diethyl ester

64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In tetrahydrofuran at -10℃; for 1h;55%
In diethyl ether at -10℃; for 2h;
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Chemistry

Following is the structure of Ethyl 2-oxo-phenylbutrate (CAS NO.64920-29-2):
                        

IUPAC Name: Ethyl 2-oxo-4-phenylbutanoate 
Molecular Formula: C12H14O3
Molecular Weight: 206.237760 g/mol
Appearance: yellow liquid
BRN: 2725083
EINECS: 265-276-9
Index of Refraction: 1.506
Molar Refractivity: 56.13 cm3
Molar Volume: 188.8 cm3
Density: 1.091 g/cm3
Flash Point: 140 °C
Surface Tension: 39.2 dyne/cm
Enthalpy of Vaporization: 54.97 kJ/mol
Boiling Point: 309 °C at 760 mmHg
Vapour Pressure: 0.000657 mmHg at 25 °C
Product Categories: Intermediates of Sertraline; Pharmaceutical Intermediates; Aromatics; (intermediate of lisinopril ); C12 to C63; Carbonyl Compounds; Esters
SMILES: O=C(OCC)C(=O)CCc1ccccc1
InChI: InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey: STPXIOGYOLJXMZ-UHFFFAOYAY

Uses

 Ethyl 2-oxo-phenylbutrate with cas registry number of 64920-29-2 is used as an intermediate in organic synthesis and pharmaceutical.

Safety Profile

Safety Information of Ethyl 2-oxo-phenylbutrate (CAS NO. 64920-29-2):
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25-36/37-26
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3

Specification

 Ethyl 2-oxo-phenylbutrate , its cas register number 64920-29-2. It also can be called Benzenebutanoic acid, .alpha.-oxo-, ethyl ester ; and Benzenebutanoic acid, alpha-oxo-, ethyl ester .