2-(4-Chlorophenyl)-2-phenylacetonitrile

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-phenylacetonitrile
• CAS No.: 4578-80-7
• Molecular Formula: C₁₄H₁₀ClN
• Molecular Weight: 227.693
• European Community (EC) Number: 662-825-8
• Nikkaji Number: J1.094.543G
• Mol file: 4578-80-7.mol

Synonyms:(4-chlorophenyl)(phenyl)acetonitrile;2-(4-chlorophenyl)-2-phenylacetonitrile;4578-80-7;(4-chlorophenyl)phenylacetonitrile;SCHEMBL5164828;OZTNTRFNRLHMKC-UHFFFAOYSA-N;MFCD00158849;(4-Chloro-phenyl)-phenyl-acetonitrile;AKOS015998446;LS-08984;CS-0332142

Chemical Property of 2-(4-Chlorophenyl)-2-phenylacetonitrile

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 227.0501770
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Chlorophenyl)-2-phenylacetonitrile

There total 17 articles about 2-(4-Chlorophenyl)-2-phenylacetonitrile 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: 77.0%

bromochlorobenzene (106-39-8) + phenylacetonitrile (140-29-4) → 2-(p-Chlorophenyl)-2-phenylacetonitrile (4578-80-7)

Guidance literature:

With potassium hydroxide; In water; at 45 ℃; for 41h;

DOI:10.1021/acscatal.0c01196

Reference yield: 66.0%

1-chloro-4-(2,2-difluoro-1-phenylvinyl)benzene (1010720-50-9) → 2-(p-Chlorophenyl)-2-phenylacetonitrile (4578-80-7)

Guidance literature:

With ammonium hydroxide; 18-crown-6 ether; In acetonitrile; at 100 ℃; for 24h; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.1c04336

Reference yield: 60.0%

trimethylsilyl cyanide (7677-24-9) + (4-chlorophenyl)phenylmethanol (119-56-2) → 2-(p-Chlorophenyl)-2-phenylacetonitrile (4578-80-7)

Guidance literature:

With iodine; lithium carbonate; In dichloromethane; at 35 ℃; for 5h;

DOI:10.1016/j.tet.2018.11.069

upstream raw materials:

benzene

p-chlorobenzyl cyanide

2-bromo-2-(4-chlorophenyl)acetonitrile

bromo-phenyl-acetonitrile

Downstream raw materials:

2-(4-chloro-phenyl)-2-phenyl-ethylamine

(p-Chlor-phenyl)-phenyl-thioacetamid

α-(4-chlorophenyl)phenylacetic acid

4-chlorobenzophenone