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Cas Database |
| Name |
Ethyl 2-oxo-4-phenylbutyrate |
EINECS | 265-276-9 |
| CAS No. | 64920-29-2 | Density | 1.091 g/cm3 |
| PSA | 43.37000 | LogP | 1.75140 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14O3 | Boiling Point | 309 °C at 760 mmHg |
| Molecular Weight | 206.241 | Flash Point | 140 °C |
| Transport Information | N/A | Appearance | Pale yellow or yellow liquid |
| Safety | 23-24/25-36/37-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 33 |
Ethyl 2-oxo-4-phenylbutyrate Synthetic route
- 93921-85-8
ethyl 2-hydroxy-4-phenylbutanoate
- 64920-29-2
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% |
- 55674-14-1
(Z)-ethyl 2-oxo-4-phenyl-3-butenoate
- 64920-29-2
2-oxo-4-phenylbutanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| 98% |
- 64920-29-2
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% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | 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% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In tetrahydrofuran at -10℃; for 1h; | 55% |
| In diethyl ether at -10℃; for 2h; |
Ethyl 2-oxo-4-phenylbutyrate Chemical Properties
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-4-phenylbutyrate Uses
Ethyl 2-oxo-phenylbutrate with cas registry number of 64920-29-2 is used as an intermediate in organic synthesis and pharmaceutical.
Ethyl 2-oxo-4-phenylbutyrate 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
Ethyl 2-oxo-4-phenylbutyrate 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 .
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