4-[2-(4-Chlorophenyl)ethyl]benzonitrile

Base Information

• Chemical Name: 4-[2-(4-Chlorophenyl)ethyl]benzonitrile
• CAS No.: 10270-28-7
• Molecular Formula: C15H12 Cl N
• Molecular Weight: 241.72
• NSC Number: 100686
• DSSTox Substance ID: DTXSID50295227
• Nikkaji Number: J370.646J
• Wikidata: Q82035029
• Mol file: 10270-28-7.mol

Synonyms:4-[2-(4-chlorophenyl)ethyl]benzonitrile;10270-28-7;NSC100686;DTXSID50295227;NSC-100686

Chemical Property of 4-[2-(4-Chlorophenyl)ethyl]benzonitrile

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Boiling Point: 360.1°Cat760mmHg
• Flash Point: 142.6°C
• Density: 1.18g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 241.0658271
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)Cl)C#N

Technology Process of 4-[2-(4-Chlorophenyl)ethyl]benzonitrile

There total 6 articles about 4-[2-(4-Chlorophenyl)ethyl]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: 92.0%

4-bromobenzenecarbonitrile (623-00-7) + C8H8ClIZn → 4-(2-(4'-chlorophenyl)ethyl)benzonitrile (10270-28-7)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3chloro-pyridyl)palladium(II) dichloride; tetrabutylammomium bromide; for 4h; Milling;

DOI:10.1002/anie.201806480

Reference yield: 80.0%

1-(2-bromoethyl)-4-chlorobenzene (6529-53-9) + 4-iodobenzonitrile (3058-39-7) → 4-(2-(4'-chlorophenyl)ethyl)benzonitrile (10270-28-7)

Guidance literature:

With 1,10-Phenanthroline; nickel(II) chloride hexahydrate; N,N-dimethyl acetamide; sodium iodide; zinc; for 2h; Milling; Sealed tube;

DOI:10.1021/acs.orglett.1c02096

Reference yield: 64.0%

4-Cyanochlorobenzene (623-03-0) + 4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 4-(2-(4'-chlorophenyl)ethyl)benzonitrile (10270-28-7)

Guidance literature:

With isopropyl alcohol; 4,4'-bipyridine; In ammonia; at -38 ℃; electrolyses;

DOI:10.1016/S0040-4039(00)80170-7

upstream raw materials:

4-Cyanochlorobenzene

4-vinylbenzyl chloride

1-Chloro-4-(chloromethyl)benzene

para-methylbenzonitrile