2,2-Diphenylhexanenitrile

Base Information

• Chemical Name: 2,2-Diphenylhexanenitrile
• CAS No.: 5558-94-1
• Molecular Formula: C18H19N
• Molecular Weight: 249.356
• European Community (EC) Number: 662-867-7
• DSSTox Substance ID: DTXSID801292123
• Nikkaji Number: J3.537.451E
• Mol file: 5558-94-1.mol

Synonyms:2,2-diphenylhexanenitrile;SCHEMBL18015780;DTXSID801292123;AKOS024324933;5558-94-1;alpha-Butyl-alpha-phenylbenzeneacetonitrile;J3.537.451E

Chemical Property of 2,2-Diphenylhexanenitrile

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 249.151749610
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Diphenylhexanenitrile

There total 5 articles about 2,2-Diphenylhexanenitrile 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: 85.0%

1-bromo-butane (109-65-9) + Diphenylacetonitrile (86-29-3) → 1,1-diphenyl-1-cyanopentane (5558-94-1)

Guidance literature:

With lithium cyclohexylisopropylamide;

Reference yield:

1-Cyano-1-phenylpentan (3508-98-3) → 1,1-diphenyl-1-cyanopentane (5558-94-1)

Guidance literature:

With bromine; anschliessend Erwaermen mit Benzol und AlCl₃;

Reference yield:

1-bromo-butane (109-65-9) + diphenylcyanomethylcesium (66785-36-2) → 1,1-diphenyl-1-cyanopentane (5558-94-1)

Guidance literature:

In 1,2-dimethoxyethane; at 25 ℃; Rate constant;

upstream raw materials:

1-Cyano-1-phenylpentan

1-bromo-butane

Diphenylacetonitrile

diphenylacetonitrie lithium salt

Downstream raw materials:

1,1-diphenylpentane

(Z)-3-(1-Methyl-2,2-diphenyl-hexylcarbamoyl)-acrylic acid

biphenyl

2,2-Diphenyl-1-methylhexylamine