ethyl 2-cyano-3-phenyl-propanoate

Base Information

• Chemical Name: ethyl 2-cyano-3-phenyl-propanoate
• CAS No.: 6731-58-4
• Molecular Formula: C12H13 N O2
• Molecular Weight: 203.241
• Hs Code.: 2926909090
• Mol file: 6731-58-4.mol

Synonyms:Hydrocinnamicacid, a-cyano-, ethyl ester(6CI,7CI,8CI); Benzylcyanoacetic acid ethyl ester; Ethyl 2-cyano-3-phenylpropanoate;Ethyl 2-cyano-3-phenylpropionate; Ethyl benzylcyanoacetate; NSC 20717

Chemical Property of ethyl 2-cyano-3-phenyl-propanoate

Chemical Property:

• Vapor Pressure: 6.75E-05mmHg at 25°C
• Boiling Point: 344.1°C at 760 mmHg
• Flash Point: 163.5°C
• PSA: 50.09000
• Density: 1.095g/cm³
• LogP: 1.93198
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

ethyl2-cyano-3-phenylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 2-cyano-3-phenyl-propanoate

There total 51 articles about ethyl 2-cyano-3-phenyl-propanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethyl benzylidenecyanoacetate (2025-40-3) → ethyl 2-cyano-3-phenylpropanoate (6731-58-4)

Guidance literature:

With Hantzsch ester; In tetrahydrofuran; at 20 ℃; for 0.5h; chemoselective reaction;

DOI:10.1002/adsc.201000093

Reference yield: 96.4%

diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (1149-23-1) + benzaldehyde (100-52-7) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-cyano-3-phenylpropanoate (6731-58-4)

Guidance literature:

With L-proline; In ethanol; at 20 ℃; for 16h;

DOI:10.1021/acs.orglett.8b03641

Reference yield: 95.0%

benzaldehyde (100-52-7) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-cyano-3-phenylpropanoate (6731-58-4)

Guidance literature:

benzaldehyde; ethyl 2-cyanoacetate; hydrotalcite; palladium; In toluene; at 80 ℃; for 3h;

With hydrogen; hydrotalcite; palladium; In toluene; at 80 ℃; for 20h; under 760 Torr;

DOI:10.1016/j.tetlet.2005.06.053

upstream raw materials:

benzyl bromide

ethyl 2-cyanoacetate

benzaldehyde

sodium cyanoacetic acid ethyl ester

Downstream raw materials:

ethyl 2-formyl-3-phenylpropionate

2-benzyl-3-amino-1-propanol

2-cyano-3-phenylpropionic acid

2-(5-methyl-4-oxo-thiazolidin-2-ylidene)-3-phenyl-propionic acid ethyl ester