3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
- Product Name
- 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
- Formula Weight
- 217.22
- MOL File
- 62088-13-5.mol
3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Property
- Boiling point:
- 338.0±22.0 °C(Predicted)
- Density
- 1.19
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.57±0.46(Predicted)
- Appearance
- White to yellow Solid
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E926625
- Product name
- Ethyl3-(3-cyanophenyl)-3-oxopropanoate
- Packaging
- 50mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 9322AB
- Product name
- Ethyl3-(3-cyanophenyl)-3-oxopropanoate
- Packaging
- 1g
- Price
- $623
- Updated
- 2021/12/16
- Product number
- CHM0166224
- Product name
- ETHYL-3-(3-CYANOPHENYL)-3-OXOPROPANOATE
- Purity
- 98.00%
- Packaging
- 5G
- Price
- $1409.1
- Updated
- 2021/12/16
- Product number
- A351673
- Product name
- Ethyl3-(3-cyanophenyl)-3-oxopropanoate
- Purity
- 97%
- Packaging
- 250mg
- Price
- $44
- Updated
- 2021/12/16
- Product number
- CD12053100
- Product name
- Ethyl3-(3-cyanophenyl)-3-oxopropanoate
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $99
- Updated
- 2021/12/16
3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Chemical Properties,Usage,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
Preparation Products
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View Lastest Price from 3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER manufacturers
- Product
- 3-(3-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 62088-13-5
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 200KG
- Release date
- 2020-03-23