4-Chloro-3-methyl-2,2-diphenylbutanenitrile

Base Information

• Chemical Name: 4-Chloro-3-methyl-2,2-diphenylbutanenitrile
• CAS No.: 133132-74-8
• Molecular Formula: C₁₇H₁₆ClN
• Molecular Weight: 269.774
• European Community (EC) Number: 654-736-8
• NSC Number: 85872
• DSSTox Substance ID: DTXSID70292834
• Mol file: 133132-74-8.mol

Synonyms:4-chloro-3-methyl-2,2-diphenylbutanenitrile;133132-74-8;NSC85872;NCIOpen2_004989;DTXSID70292834;NSC-85872;AKOS024332182;4-CHLORO-2,2-DIPHENYL-3-METHYLBUTYRONITRILE

Chemical Property of 4-Chloro-3-methyl-2,2-diphenylbutanenitrile

Chemical Property:

• Vapor Pressure: 1.67E-06mmHg at 25°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 269.0971272
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

95% ^*data from raw suppliers

4-CHLORO-2,2-DIPHENYL-3-METHYLBUTYRONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Chloro-3-methyl-2,2-diphenylbutanenitrile

There total 1 articles about 4-Chloro-3-methyl-2,2-diphenylbutanenitrile 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:

Diphenylacetonitrile (86-29-3) → 4-chloro-3-methyl-2,2-diphenyl-butyronitrile (133132-74-8)

Guidance literature:

With sodium amide; toluene; anschliessend Erhitzen mit (+-)-Toluol-4-sulfonsaeure-<β-chlor-isopropylester>;

DOI:10.1021/ja01142a024

Reference yield:

piperidine (110-89-4) + 4-chloro-3-methyl-2,2-diphenyl-butyronitrile (133132-74-8) → 3-methyl-2,2-diphenyl-4-piperidino-butyronitrile (17371-45-8)

Guidance literature:

at 150 ℃;

upstream raw materials:

Diphenylacetonitrile

Downstream raw materials:

3-methyl-2,2-diphenyl-4-piperidino-butyronitrile