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BMK Chemical CAS 718-08-1

Basic Information
Place of Origin: China
Brand Name: First
Certification: COA
Model Number: 718-08-1
Minimum Order Quantity: 1KG
Price: 50-100USD
Packaging Details: 1kg/bag ;25kg/drum,25 kg/Carton
Delivery Time: 5 to 10 days
Payment Terms: L/C, D/A, D/P, T/T, Western Union, MoneyGram,BTC
Supply Ability: 1000 Tons
Detail Information
Product Name: Ethyl 3-oxo-4-phenylbutanoate Cas No.: 718-08-1
MF: C12H14O3 Einecs No.: 226-500-0
Purity: 99.0%min Type: Syntheses Material Intermediates
Appearance: Light-yellow Liquid Other Names: 3-keto-4-phenyl-butyric Acid Ethyl Ester
Fp: 124℃ Sample: Availiable
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BMK Chemical CAS 718-08-1


Light Yellow BMK Chemical


Ethyl 3 Oxo 4 Phenylbutanoate CAS 718-08-1

Product Description

   Ethyl 3-oxo-4-phenylbutanoate Basic information 


Product Name: Ethyl 3-oxo-4-phenylbutanoate
Synonyms: 3-keto-4-phenyl-butyric acid ethyl ester;ethyl 3-oxo-4-phenylbutanoate;ethyl 3-oxo-4-phenyl-butanoate;3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER;4-Phenyl-3-oxobutanoic acid ethyl ester;Benzenebutanoic acid, b-oxo-, ethyl ester;b-Oxo-benzenebutanoic acid ethyl ester;Benzenebutanoic acid, β-oxo-, ethyl ester
CAS: 718-08-1
MF: C12H14O3
MW: 206.24
EINECS: 226-500-0
Ethyl 3-oxo-4-phenylbutanoate Structure


Ethyl 3-oxo-4-phenylbutanoate Chemical Properties


Boiling point 290℃
density 1.091
refractive index 1.054-1.059
Fp 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


Ethyl 3-oxo-4-phenylbutanoate Usage And Synthesis


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 %).


BMK Chemical CAS 718-08-1 1


ethyl 3-oxo-4-phenylbutanoate
Ethyl 3-oxo-4-phenylbutanoate
ethyl 3-oxo-4-phenyl-butanoate
b-Oxo-benzenebutanoic acid ethyl ester
4-Phenyl-3-oxobutanoic acid ethyl ester
3-keto-4-phenyl-butyric acid ethyl ester
Benzenebutanoic acid, b-oxo-, ethyl ester
Benzenebutanoic acid, β-oxo-, ethyl ester
benzenebutanoic acid, beta-oxo-, ethyl ester


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BMK Chemical CAS 718-08-1 2

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