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
- Molecular Weight:
- 206.24
- MDL Number:
- MFCD03844818
- MOL File:
- 718-08-1.mol
- MSDS File:
- SDS
| 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) |  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(19)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | E925845 | Ethyl4-Phenylacetoacetate | 718-08-1 | 1g | $110 | 2021-12-16 | Buy |
| TRC | E925845 | Ethyl4-Phenylacetoacetate | 718-08-1 | 25g | $655 | 2021-12-16 | Buy |
| Matrix Scientific | 119050 | Ethyl 3-oxo-4-phenylbutanoate 95+% | 718-08-1 | 5g | $485 | 2021-12-16 | Buy |
| American Custom Chemicals Corporation | CHM0150176 | 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER 95.00% | 718-08-1 | 5MG | $504.89 | 2021-12-16 | Buy |
| AK Scientific | W8071 | Ethyl3-oxo-4-phenylbutanoate | 718-08-1 | 1g | $163 | 2021-12-16 | 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 %).
Ethyl 3-oxo-4-phenylbutanoate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Nanjing Deda New Material Technology Ltd. | +8613223281135 | niki@njdeda.com | China | 76 | 58 |
| ZHEJIANG JIUZHOU CHEM CO., LTD | +86-0576225566889 +86-13454675544 | admin@jiuzhou-chem.com；jamie@jiuzhou-chem.com；alice@jiuzhou-chem.com | China | 20000 | 58 |
| Hebei Miaoyin Technology Co.,Ltd | +86-17367732028 +86-17367732028 | kathy@hbyinsheng.com | China | 3582 | 58 |
| Hebei Yanxi Chemical Co., Ltd. | +8617531190177 | peter@yan-xi.com | China | 5993 | 58 |
| Dorne Chemical Technology co. LTD | +86-13583358881 +86-18560316533 | Ethan@dornechem.com | China | 294 | 58 |
| Hebei Guanlang Biotechnology Co,.LTD | +8619930503252 | daisy@crovellbio.com | China | 5964 | 58 |
| Firsky International Trade (Wuhan) Co., Ltd | +8615387054039 | admin@firsky-cn.com | China | 436 | 58 |
| Xiamen Wonderful Bio Technology Co., Ltd. | +8613043004613 | Sara@xmwonderfulbio.com | China | 305 | 58 |
| Wuhan Haorong Biotechnology Co.,ltd | +8618565342920 | sales@chembj.net | China | 269 | 58 |
| Anhui Zhongda Biotechnology Co., Ltd | +8615689548120 | linda@zhongda-biotech.com | China | 204 | 58 |
View Lastest Price from Ethyl 3-oxo-4-phenylbutanoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-04-23 | Ethyl 3-oxo-4-phenylbutanoate
718-08-1
|
US $10.00-10.00 / ASSAYS | 1ASSAYS | 99% | 10 ton | Dorne Chemical Technology co. LTD | |
 |
2024-04-23 | Ethyl 3-oxo-4-phenylbutanoate
718-08-1
|
US $0.00 / G | 1G | 99% | 20 | CONTIDE BIOTECH CO.,LTD | |
 |
2024-04-23 | 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
718-08-1
|
US $60.00-22.00 / kg | 1kg | 99% | 300tons | Hebei Dangtong Import and export Co LTD |
-
- Ethyl 3-oxo-4-phenylbutanoate
718-08-1
- US $10.00-10.00 / ASSAYS
- 99%
- Dorne Chemical Technology co. LTD
-
- Ethyl 3-oxo-4-phenylbutanoate
718-08-1
- US $0.00 / G
- 99%
- CONTIDE BIOTECH CO.,LTD
-
- 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
718-08-1
- US $60.00-22.00 / kg
- 99%
- Hebei Dangtong Import and export Co LTD
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