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;b-Oxo-benzenebutanoic acid ethyl ester;4-Phenyl-3-oxobutanoic acid ethyl ester;3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER;3-keto-4-phenyl-butyric acid ethyl ester
- CBNumber
- CB6199162
- Molecular Formula
- C12H14O3
- Formula Weight
- 206.24
- MOL File
- 718-08-1.mol
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
Safety
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39
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.
N-Bromosuccinimide Price
- Product number
- E925845
- Product name
- Ethyl4-Phenylacetoacetate
- Packaging
- 1g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- E925845
- Product name
- Ethyl4-Phenylacetoacetate
- Packaging
- 25g
- Price
- $655
- Updated
- 2021/12/16
- Product number
- 119050
- Product name
- Ethyl 3-oxo-4-phenylbutanoate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $485
- Updated
- 2021/12/16
- 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
- Product number
- W8071
- Product name
- Ethyl3-oxo-4-phenylbutanoate
- Packaging
- 1g
- Price
- $163
- Updated
- 2021/12/16
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
- 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
- Product
- Ethyl 3-oxo-4-phenylbutanoate 718-08-1
- Price
- US $50.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20000kg
- Release date
- 2024-03-27
- 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