3-(2-chloroethyl)benzonitrile

Base Information

• Chemical Name: 3-(2-chloroethyl)benzonitrile
• CAS No.: 484065-64-7
• Molecular Formula: C₉H₈ClN
• Molecular Weight: 165.622
• Mol file: 484065-64-7.mol

Synonyms:3-(2-chloroethyl)benzonitrile

Chemical Property of 3-(2-chloroethyl)benzonitrile

Chemical Property:

• Boiling Point: 276.7±15.0 °C(Predicted)
• Density: 1.14±0.1 g/cm3(Predicted)

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(2-chloroethyl)benzonitrile

There total 5 articles about 3-(2-chloroethyl)benzonitrile 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: 96.0%

3-(2-hydroxyethyl)benzonitrile (193290-27-6) → 3-(2-chloroethyl)benzonitrile (484065-64-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 50 ℃; for 1h;

DOI:10.1016/S0968-0896(02)00106-2

Reference yield: 49.0%

sodium cyanide (773837-37-9) + 1-iodo-3-(2-chloroethyl)benzene → 3-(2-chloroethyl)benzonitrile (484065-64-7)

Guidance literature:

With C₁₈H₁₄CuIN₄; In acetonitrile; at 20 ℃; for 24h; chemoselective reaction; Inert atmosphere; Sealed tube; UV-irradiation;

DOI:10.1002/adsc.201700213

Reference yield:

3-cyanophenyl-1-acetaldehyde (109346-98-7) → 3-(2-chloroethyl)benzonitrile (484065-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / sodium borohydride / ethanol / 3 h / 3 °C

2: 96 percent / thionyl chloride; DMF / CH₂Cl₂ / 1 h / 50 °C

With sodium tetrahydroborate; thionyl chloride; N,N-dimethyl-formamide; In ethanol; dichloromethane;

DOI:10.1016/S0968-0896(02)00106-2

upstream raw materials:

3-(2-hydroxyethyl)benzonitrile

3-cyanophenyl-1-acetaldehyde

3-iodophenylacetic acid

2-(3-iodophenyl)ethan-1-ol

Downstream raw materials:

2-(3-cyanophenyl)-N-{4-[(4-piperidyl)oxy]phenyl}ethanesulfonamide