3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester
- CAS No.
- 62088-13-5
- Chemical Name:
- 3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester
- Synonyms
- Ethyl (m-cyanobenzoyl)acetate;ETHYL 3-(3-CYANOPHENYL)-3-OXOPROPANOATE;Ethyl 3-(3-Cyanophenyl)-3-oxopropionate;3-Cyano-b-oxo-benzenepropanoic acid ethyl ester;3-(3-Cyanophenyl)-3-oxopropanoic acid ethyl ester;Benzenepropanoic acid, 3-cyano-β-oxo-, ethyl ester;3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester
- CBNumber:
- CB7437715
- Molecular Formula:
- C12H11NO3
- Molecular Weight:
- 217.22
- MDL Number:
- MFCD06656737
- MOL File:
- 62088-13-5.mol
- MSDS File:
- SDS
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501 |
3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Activate Scientific | AS86476 | Ethyl 3-(3-cyanophenyl)-3-oxopropanoate 97% | 62088-13-5 | 1g | $80 | 2026-06-04 | Buy |
| Activate Scientific | AS86476 | Ethyl 3-(3-cyanophenyl)-3-oxopropanoate 97% | 62088-13-5 | 5g | $317 | 2026-06-04 | Buy |
| Matrix Scientific | 310427 | Ethyl 3-(3-cyanophenyl)-3-oxopropanoate | 62088-13-5 | 250.00mg | $30 | 2026-05-19 | Buy |
| Matrix Scientific | 310427 | Ethyl 3-(3-cyanophenyl)-3-oxopropanoate | 62088-13-5 | 1.00g | $65 | 2026-05-19 | Buy |
| Matrix Scientific | 310427 | Ethyl 3-(3-cyanophenyl)-3-oxopropanoate | 62088-13-5 | 5.00g | $156 | 2026-05-19 | Buy |
3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Chemical Properties, Uses, Production
Uses
Ethyl 3-(3-cyanophenyl)-3-oxopropanoate is used in the synthetic preparation of benzamidine factor Xa inhibitors containing a vicinally-substituted heterocyclic core towards the discovery of novel antithrombotic agents.
Synthesis
6136-68-1
105-58-8
62088-13-5
Part A. Preparation of ethyl 3-(3-cyanophenyl)-3-oxopropanoate. To a hexane-washed suspension of sodium hydride (1.2 g, 60% mineral oil suspension, 30.3 mmol) in 40 mL of tetrahydrofuran, diethyl carbonate (3.7 mL, 30.3 mmol) and 3-acetylbenzonitrile (2.2 g, 15.2 mmol) were added sequentially. The resulting suspension was stirred at 65 °C for 1 h and then cooled to room temperature. 40 mL of 10% HCl aqueous solution was added and the reaction mixture was diluted with ethyl acetate and layered. The organic layer was washed with brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to afford 3.2 g (96% yield) of ethyl 3-(4-cyanophenyl)-oxopropanoate, which was pure enough to be used directly in subsequent reactions without further purification. Mass spectrum (NH3-Cl) m/z: 218.3 ([M+H]+).
References
[1] Journal of Medicinal Chemistry, 2006, vol. 49, # 6, p. 1910 - 1915
[2] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 5, p. 641 - 645
[3] Patent: WO2011/46774, 2011, A1. Location in patent: Page/Page column 16
[4] Patent: EP946528, 2003, B1
[5] Patent: US6187797, 2001, B1
3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Amatek Scientific Co. Ltd. | 0512-56316828 4008675858 | sales@amateksci.com | China | 9848 | 55 |
| Shanghai Taifu Pharmaceutical Technology Co. LTD | 021-58111238 18930958102 | sales@taifupharm.com | China | 509 | 55 |
| ShangHai AmK Pharmaceutical Technology Co., Ltd. | 微信 18019252918 18019252918 | sale@amkchem.com | China | 14982 | 55 |
| Zhengzhou Guancheng Laboratory equipment Sales | 0371-88888888 qq272369594;2159423853qq | 2723695949@qq.com | China | 4990 | 50 |
| Chengdu Kamel Pharmaceutical Co., Ltd | 028-67136579 15828051124 | sales@kamelpharm.com | China | 2473 | 55 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131885 | 58 |
| Aikon International Limited | 025-58859352 15955137747 | sales01@aikonchem.com | China | 16021 | 58 |
| Shanghai Wenjia Biomedical Technology Co., Ltd. | 15001899038 15001899038; | wenjiayiyao@126.com | China | 998 | 58 |
| KARMEL TECHNOLOGY (HK) CO.,LIMITED | +8618795957998 | karmelhk@126.com | CHINA | 2886 | 58 |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | sales@chemdad.com | China | 39866 | 58 |
View Latest Price from 3-(3-Cyano-phenyl)-3-oxo-propionic acid ethyl ester manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-03-24 | 3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
62088-13-5
|
$3.00 | 1KG | 98% | 200KG | Career Henan Chemical Co |
-
- 3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
62088-13-5
- $3.00
- 98%
- Career Henan Chemical Co
