2-Cyano-3-phenylpropanamide

Base Information

• Chemical Name: 2-Cyano-3-phenylpropanamide
• CAS No.: 7216-46-8
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• NSC Number: 79708
• DSSTox Substance ID: DTXSID00292029
• Nikkaji Number: J1.422.134D
• Mol file: 7216-46-8.mol

Synonyms:NSC79708;7216-46-8;2-cyano-3-phenylpropanamide;2-cyano-3-phenyl-propanamide;benzylcyanoacet amide;NCIOpen2_000790;SCHEMBL2263480;DTXSID00292029;Benzenepropanamide, .alpha.-cyano-;NSC-79708

Chemical Property of 2-Cyano-3-phenylpropanamide

Chemical Property:

• Vapor Pressure: 5.97E-07mmHg at 25°C
• Boiling Point: 410.6°C at 760 mmHg
• Flash Point: 202.1°C
• Density: 1.162g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C#N)C(=O)N

Technology Process of 2-Cyano-3-phenylpropanamide

There total 12 articles about 2-Cyano-3-phenylpropanamide 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:

benzaldehyde (100-52-7) + cyanoacetic acid amide (107-91-5) → 2-cyano-3-phenylpropanamide (7216-46-8)

Guidance literature:

benzaldehyde; cyanoacetic acid amide; hydrotalcite; palladium; In N,N-dimethyl-formamide; at 80 ℃; for 18h;

With hydrogen; hydrotalcite; palladium; In N,N-dimethyl-formamide; at 60 ℃; for 4h; under 760 Torr;

DOI:10.1016/j.tetlet.2005.06.053

Reference yield:

2-cyano-3-phenylacrylamide (709-79-5) → 2-cyano-3-phenylpropanamide (7216-46-8)

Guidance literature:

With sodium cyanoborohydride; In ethanol;

DOI:10.1021/jo00882a029

Reference yield:

benzyl chloride (100-44-7) + cyanoacetic acid amide (107-91-5) → 2-cyano-3-phenylpropanamide (7216-46-8)

Guidance literature:

With ammonia; sodium amide;

upstream raw materials:

benzaldehyde

cyanoacetic acid amide

benzyl chloride

2-cyano-3-phenylacrylamide

Downstream raw materials:

Benzylmalononitrile

2-cyano-3-phenylacrylamide

C₂₄H₂₆N₂O₃

2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl)-3-phenyl-propionamide