3-(3-chlorophenylamino)propanenitrile

Base Information

• Chemical Name: 3-(3-chlorophenylamino)propanenitrile
• CAS No.: 54475-92-2
• Molecular Formula: C9H9 Cl N2
• Molecular Weight: 180.637
• Hs Code.: 2926909090
• Mol file: 54475-92-2.mol

Synonyms:Propionitrile,3-m-chloroanilino- (6CI); 3-(3-Chloroanilino)propionitrile;3-(3-Chlorophenylamino)propanenitrile; NSC 147652

Chemical Property of 3-(3-chlorophenylamino)propanenitrile

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Boiling Point: 371.6°C at 760 mmHg
• Flash Point: 178.6°C
• PSA: 35.82000
• Density: 1.226g/cm³
• LogP: 2.73858

Purity/Quality:

99% ^*data from raw suppliers

3-[(3-chlorophenyl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(3-chlorophenylamino)propanenitrile

There total 5 articles about 3-(3-chlorophenylamino)propanenitrile 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: 84.0%

acrylonitrile (107-13-1,25014-41-9) + 3-chloro-aniline (108-42-9) → 3?((3?chlorophenyl)amino)propanenitrile (54475-92-2)

Guidance literature:

With aluminum oxide; at 20 ℃; for 8h; Neat (no solvent);

DOI:10.1016/j.tet.2010.05.054

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 3-chloro-aniline (108-42-9) → 3?((3?chlorophenyl)amino)propanenitrile (54475-92-2) + N,N-di(cyanoethyl)m-chloroaniline (476441-60-8)

Guidance literature:

With acetic acid; copper(l) chloride;

DOI:10.1021/ja01107a508

Reference yield:

3-chloroaniline hydrochloride (141-85-5) + acrylonitrile (107-13-1,25014-41-9) → 3?((3?chlorophenyl)amino)propanenitrile (54475-92-2)

Guidance literature:

With diethylamine; at 180 ℃;

upstream raw materials:

3-chloroaniline hydrochloride

acrylonitrile

3-chloro-aniline

Downstream raw materials:

tert-butyl 2-((3-chlorophenyl)(2-cyanoethyl)amino)-2-oxoethyl(methyl)carbamate

N₁-(3-chlorophenyl)propane-1,3-diamine

methyl 3-(3-chlorophenylamino)propylcarbamate

methyl 3-((3-chlorophenyl)(2-(methylamino)ethyl)amino)propylcarbamate

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