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Ethyl 3-oxo-4-phenylbutanoate

Ethyl 3-oxo-4-phenylbutanoate Structure

Ethyl 3-oxo-4-phenylbutanoate structure

CAS No.
718-08-1
Chemical Name:
Ethyl 3-oxo-4-phenylbutanoate
Synonyms
ethyl 3-oxo-4-phenylbutanoate;3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER;Ethyl 4-phenylacetoacetate;Ethyl 4-phenylacet;BMK/PMK Oil and Powder;Ethyl 3-Oxo-4-phenylbutyrate;ethyl 3-oxo-4-phenyl-butanoate;Ethyl 3-oxo-4-phenyl-butyric acid;b-Oxo-benzenebutanoic acid ethyl ester;4-Phenyl-3-oxobutanoic acid ethyl ester
CBNumber:
CB6199162
Molecular Formula:
C12H14O3
Molecular Weight:
206.24
MDL Number:
MFCD03844818
MOL File:
718-08-1.mol
MSDS File:
SDS
Last updated:2026-05-28 02:36:57
Product description Number Pack Size Price
Ethyl 3-oxo-4-phenylbutanoate 97% AS36177 1g $25
Ethyl 3-oxo-4-phenylbutanoate 97% AS36177 5g $40
Ethyl 3-oxo-4-phenylbutanoate 97% AS36177 25g $120
Ethyl 3-oxo-4-phenylbutanoate 97% AS36177 100g $478
Ethyl 3-oxo-4-phenylbutanoate 119050 5.00g $485
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Ethyl 3-oxo-4-phenylbutanoate Properties

Boiling point 290℃
Density 1.091
refractive index 1.054-1.059
Flash point 124℃
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly)
form Oil
pka 10.49±0.46(Predicted)
color Colourless to Light Yellow
InChI InChI=1S/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey BOZNWXQZCYZCSH-UHFFFAOYSA-N
SMILES C1(C=CC=CC=1)CC(=O)CC(=O)OCC

SAFETY

Risk and Safety Statements

Symbol(GHS) Exclamation Mark (GHS07)
GHS07
Signal word Warning
Hazard statements H335-H319-H315
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements 36/37/38
Safety Statements 26-36/37/39

Ethyl 3-oxo-4-phenylbutanoate price More Price(42)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Activate Scientific AS36177 Ethyl 3-oxo-4-phenylbutanoate 97% 718-08-1 1g $25 2026-06-04 Buy
Activate Scientific AS36177 Ethyl 3-oxo-4-phenylbutanoate 97% 718-08-1 5g $40 2026-06-04 Buy
Activate Scientific AS36177 Ethyl 3-oxo-4-phenylbutanoate 97% 718-08-1 25g $120 2026-06-04 Buy
Activate Scientific AS36177 Ethyl 3-oxo-4-phenylbutanoate 97% 718-08-1 100g $478 2026-06-04 Buy
Matrix Scientific 119050 Ethyl 3-oxo-4-phenylbutanoate 718-08-1 5.00g $485 2026-05-18 Buy

Ethyl 3-oxo-4-phenylbutanoate Chemical Properties, Uses, Production

Chemical Properties

Light-yellow Liquid.

Uses

Ethyl 3-oxo-4-phenylbutanoate is a useful synthetic intermediate. It is used to prepare pyrazolone derivatives as antiprion compounds. It is also used to prepare pyrrolinylaminopyrimidine analogs as inhibitors of AP-1 and NF-κB mediated gene expression.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 44, p. 78, 2001 DOI: 10.1021/jm001034k
Chemical and Pharmaceutical Bulletin, 30, p. 2440, 1982 DOI: 10.1248/cpb.30.2440

Synthesis

The synthesis of Ethyl 3-oxo-4-phenylbutanoate is as follows:Monoethyl monopotassium malonate (12.9 g, 2.3 equivalents) was mixed with tetrahydrofuran (200 ml), and the mixture was cooled to 5°C. Triethylamine (8.2 g, 2.5 equivalents) and magnesium chloride (8.62 g, 2.8 equivalents) were added, and the mixture was stirred at 5 to 20°C for 3 hours. The reaction mixture was cooled to 5°C. Phenacyl chloride (5 g, 32 mmol, 1 equivalent) was gradually added, and the mixture was stirred at 5 to 20°C for 63 hours. The mixture was cooled to 5°C, and 1 N hydrochloric acid (30 ml) was added. Tetrahydrofuran was evaporated away under reduced pressure, and extraction was carried out with ethyl acetate (50 ml). The organic layer was washed with 1 N hydrochloric acid (30 ml), water (10 ml), saturated aqueous solution of sodium hydrogencarbonate (30 ml) and water (10 ml) in order. The solvent was evaporated away under reduced pressure to obtain the Ethyl 3-oxo-4-phenylbutanoate as a pale yellow oil (5.82 g, yield: 86 %).
718-08-1.png

Ethyl 3-oxo-4-phenylbutanoate synthesis

2033-24-1
64-17-5
103-80-0
718-08-1
Synthesis of Ethyl 3-oxo-4-phenylbutanoate from 2,2-Dimethyl-1,3-dioxane-4,6-dione and Ethanol and Phenylacetyl chloride

Ethyl 3-oxo-4-phenylbutanoate Preparation Products And Raw materials

Ethyl 3-oxo-4-phenylbutanoate

Ethyl 3-oxo-4-phenylbutanoate (CAS 718-08-1)

 

Ethyl 3-oxo-4-phenylbutanoate Structure

Ethyl 3-oxo-4-phenylbutanoate structure
 Common Name Ethyl 3-oxo-4-phenylbutanoate
CAS Number 718-08-1 Molecular Weight 206.238
Density 1.1±0.1 g/cm3 Boiling Point 290.3±15.0 °C at 760 mmHg
Molecular Formula C12H14O3 Melting Point N/A
MSDS N/A Flash Point 123.9±20.4 °C

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    May 28, 2026 · Ethyl 3-oxo-4-phenylbutanoate (CAS 718-08-1) information, including chemical properties, structure, melting point, …

    • Boiling point: 290℃
    • Flash point: 124℃
    • Density: 1.091
    • refractive index: 1.054-1.059

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    • Boiling Point: 290.3±15.0 °C at 760 mmHg
    • Name: Ethyl 3-Oxo-4-phenylbutanoate
    • Density: 1.1±0.1 g/cm3

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