n-(2-Cyanoethyl)benzamide

Base Information

• Chemical Name: n-(2-Cyanoethyl)benzamide
• CAS No.: 1131-83-5
• Molecular Formula: C10H10 N2 O
• Molecular Weight: 174.202
• NSC Number: 140908
• DSSTox Substance ID: DTXSID90301073
• Nikkaji Number: J443.732B
• Wikidata: Q82044627
• Mol file: 1131-83-5.mol

Synonyms:n-(2-cyanoethyl)benzamide;1131-83-5;NSC140908;N-benzoyl-aminoethylcyanide;SCHEMBL3455667;DTXSID90301073;GHZZJXFHIHMNSY-UHFFFAOYSA-N;AKOS008980726;NSC-140908

Chemical Property of n-(2-Cyanoethyl)benzamide

Chemical Property:

• Vapor Pressure: 9.11E-08mmHg at 25°C
• Boiling Point: 434.9°Cat760mmHg
• Flash Point: 216.8°C
• Density: 1.115g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of n-(2-Cyanoethyl)benzamide

There total 8 articles about n-(2-Cyanoethyl)benzamide 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: 83.0%

2-cyanoethylamine (151-18-8,60585-38-8) + benzoyl chloride (98-88-4) → 3-(Benzoylamino)propansaeurenitril (1131-83-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -5 - 20 ℃;

DOI:10.1016/j.bmc.2016.04.006

Reference yield: 80.0%

N-(2-cyanoethyl)methoxybenzylideneamine → 3-(Benzoylamino)propansaeurenitril (1131-83-5)

Guidance literature:

for 24h; Ambient temperature;

DOI:10.1021/jo00067a020

Reference yield: 78.0%

benzamide (55-21-0,27208-38-4) + acrylonitrile (107-13-1,25014-41-9) → 3-(Benzoylamino)propansaeurenitril (1131-83-5)

Guidance literature:

With potassium tert-butylate; In neat (no solvent); at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1002/asia.201901647

upstream raw materials:

N,N-bis(2-cyanoethyl)benzamide

2-cyanoethylamine

benzoyl chloride

β-aminopropionitrile monofumarate salt

Downstream raw materials:

3-(Benzoylamino)propanimidsaeure-ethylester*HCl

N-[2-(1H-tetrazol-5-yl)-ethyl]-benzamide

β-benzamidothiopropionamide

3-(benzoylamino)propionamidine hydrochloride