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CAS No.: | 64920-29-2 |
---|---|
Name: | Ethyl 2-oxo-4-phenylbutyrate |
Article Data: | 33 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25-36/37-26 |
PSA: | 43.37000 |
LogP: | 1.75140 |
ethyl 2-hydroxy-4-phenylbutanoate
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
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 dichloromethane | 98% |
With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h; | 94% |
(Z)-ethyl 2-oxo-4-phenyl-3-butenoate
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
98% |
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
With potassium permanganate; sodium hydrogencarbonate; magnesium sulfate In water; acetone at 23℃; for 0.0833333h; | 93% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hypochlorite; tetrabutylammomium bromide In water at 0 - 40℃; Product distribution / selectivity; | 84.1% |
(E)-ethyl-2-oxo-4-phenylbut-3-enoate
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
With 1-propyl-1,4-dihydronicotinamide; magnesium(II) perchlorate In acetonitrile Ambient temperature; | 82% |
ethanol
1-nitro-4-phenylbutan-2-one
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
With 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate for 1h; Reflux; | 80% |
1-phenyl-2-bromoethane
oxalic acid diethyl ester
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
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% |
phenethylmagnesium bromide
ethyl 3,5-dimethyl-1-pyrazolylglyoxylate
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
In diethyl ether at -90℃; for 1h; | 76% |
ethanol
3-oxo-5-phenyl-pentanenitrile
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene In dichloromethane for 2h; Reflux; | 57% |
phenethylmagnesium bromide
oxalic acid diethyl ester
2-oxo-4-phenylbutanoic acid ethyl ester
Conditions | Yield |
---|---|
In tetrahydrofuran at -10℃; for 1h; | 55% |
In diethyl ether at -10℃; for 2h; |
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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
Ethyl 2-oxo-phenylbutrate with cas registry number of 64920-29-2 is used as an intermediate in organic synthesis and pharmaceutical.
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
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 .