ChemicalBook > CAS DataBase List > Ethyl 3-oxo-4-phenylbutanoate

Ethyl 3-oxo-4-phenylbutanoate

Product Name
Ethyl 3-oxo-4-phenylbutanoate
CAS No.
718-08-1
Chemical Name
Ethyl 3-oxo-4-phenylbutanoate
Synonyms
ethyl 3-oxo-4-phenylbutanoate;Ethyl 4-phenylacet;BMK/PMK Oil and Powder;Ethyl 4-phenylacetoacetate;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;3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
CBNumber
CB6199162
Molecular Formula
C12H14O3
Formula Weight
206.24
MOL File
718-08-1.mol
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Ethyl 3-oxo-4-phenylbutanoate Property

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
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Safety

Risk Statements 
36/37/38
Safety Statements 
26-36/37/39
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC
Product number
E925845
Product name
Ethyl4-Phenylacetoacetate
Packaging
1g
Price
$110
Updated
2021/12/16
TRC
Product number
E925845
Product name
Ethyl4-Phenylacetoacetate
Packaging
25g
Price
$655
Updated
2021/12/16
Matrix Scientific
Product number
119050
Product name
Ethyl 3-oxo-4-phenylbutanoate
Purity
95+%
Packaging
5g
Price
$485
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0150176
Product name
3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
Purity
95.00%
Packaging
5MG
Price
$504.89
Updated
2021/12/16
AK Scientific
Product number
W8071
Product name
Ethyl3-oxo-4-phenylbutanoate
Packaging
1g
Price
$163
Updated
2021/12/16
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Ethyl 3-oxo-4-phenylbutanoate Chemical Properties,Usage,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 %).

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

Raw materials

Preparation Products

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View Lastest Price from Ethyl 3-oxo-4-phenylbutanoate manufacturers

Dorne Chemical Technology co. LTD
Product
Ethyl 3-oxo-4-phenylbutanoate 718-08-1
Price
US $10.00-10.00/ASSAYS
Min. Order
1ASSAYS
Purity
99%
Supply Ability
10 ton
Release date
2024-03-26
CONTIDE BIOTECH CO.,LTD
Product
Ethyl 3-oxo-4-phenylbutanoate 718-08-1
Price
US $0.00/G
Min. Order
1G
Purity
99%
Supply Ability
20
Release date
2024-03-21
hebei hongtan Biotechnology Co., Ltd
Product
Ethyl 3-oxo-4-phenylbutanoate 718-08-1
Price
US $50.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20000kg
Release date
2024-05-15

718-08-1, Ethyl 3-oxo-4-phenylbutanoateRelated Search:

4-(4-CHLORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(3-CHLORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(2-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(4-BROMO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 3-OXO-4-P-TOLYL-BUTYRIC ACID ETHYL ESTER 4-(4-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(3,4-DIMETHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(3-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(4-NITRO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(2-CHLORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 4-(2-BROMO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER ETHYL 4-(2-NITROPHENYL)ACETOACETATE 4-(3-FLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER 3-OXO-4-M-TOLYL-BUTYRIC ACID ETHYL ESTER 4-(4-METHOXY-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER ETHYL-2-(METHYLETHYL)-3-OXO-4-PHENYLBUTANOATE 4-(3,4-DICHLORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER ETHYL 2,4-DIPHENYLACETOACETATE

  • 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
  • Ethyl 4-phenylacetoacetate
  • Ethyl 4-phenylacet
  • ? Benzenebutanoic acid, β-oxo-, ethyl ester
  • Ethyl 3-Oxo-4-phenylbutyrate
  • 718-08-1--- 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
  • Benzenebutanoic acid, β-oxo-, ethyl ester (9CI, ACI)
  • BMK/PMK Oil and Powder
  • Ethyl 3-oxo-4-phenyl-butyric acid
  • 718-08-1
  • 5423-05-8
  • 718-08-7