2-Imino-3,3-diphenylcyclopentanecarbonitrile

Base Information

• Chemical Name: 2-Imino-3,3-diphenylcyclopentanecarbonitrile
• CAS No.: 94208-71-6
• Molecular Formula: C₁₈H₁₆N₂
• Molecular Weight: 260.338
• European Community (EC) Number: 653-218-9
• Mol file: 94208-71-6.mol

Synonyms:2-imino-3,3-diphenylcyclopentanecarbonitrile;2-imino-3,3-diphenylcyclopentane-1-carbonitrile;VLYVWDHSBNJOES-UHFFFAOYSA-N;AKOS022507362;Cyclopentanecarbonitrile, 2-imino-3,3-diphenyl-;2-IMINO-3,3-DIPHENYL-CYCLOPENTANECARBONITRILE

Chemical Property of 2-Imino-3,3-diphenylcyclopentanecarbonitrile

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.131348519
• Heavy Atom Count: 20
• Complexity: 386

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=N)C1C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2-Imino-3,3-diphenylcyclopentanecarbonitrile

There total 3 articles about 2-Imino-3,3-diphenylcyclopentanecarbonitrile 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:

2,2-diphenylhexane-1,6-dinitrile (15144-62-4) → 3,3-Diphenyl-2-imino-cyclopentan-carbonitril (94208-71-6)

Guidance literature:

With sodium amide; In benzene; Heating;

Reference yield:

5-chloro-2,2-diphenylpentanenitrile (1585-11-1) → 3,3-Diphenyl-2-imino-cyclopentan-carbonitril (94208-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide / 3 h / 140 - 145 °C

2: NaNH₂ / benzene / Heating

With sodium amide; In dimethyl sulfoxide; benzene;

Reference yield:

Diphenylacetonitrile (86-29-3) + 4-bromobutanenitrile (5332-06-9) → 3,3-Diphenyl-2-imino-cyclopentan-carbonitril (94208-71-6)

Guidance literature:

Multistep reaction; (i) NaNO₂, liq. NH₃, Et₂O, (ii) /BRN= 956577/;

DOI:10.1021/ja00868a017

upstream raw materials:

2,2-diphenylhexane-1,6-dinitrile

Diphenylacetonitrile

4-bromobutanenitrile

5-chloro-2,2-diphenylpentanenitrile

Downstream raw materials:

2,2-diphenylcyclopentanone

2-cyano-5,5-diphenylcyclopentanone

5-bromo-2,2-diphenyl-cyclopentanone

2,2-diphenylcyclopentanol