2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile

Base Information

• Chemical Name: 2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile
• CAS No.: 83898-32-2
• Molecular Formula: C23H25 N3
• Molecular Weight: 343.472
• Hs Code.: 2933399090
• European Community (EC) Number: 281-241-0
• DSSTox Substance ID: DTXSID301004034
• Nikkaji Number: J332.847C
• Mol file: 83898-32-2.mol

Synonyms:83898-32-2;2-(1-benzylpiperidin-4-yl)-2-phenylpentanedinitrile;EINECS 281-241-0;2-(1-Benzyl-4-piperidyl)-2-phenylglutaronitrile;Pentanedinitrile,2-phenyl-2-[1-(phenylmethyl)-4-piperidinyl]-;2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile;DTXSID301004034;AE-641/00334001;2-(1-benzyl-4-piperidinyl)-2-phenylpentanedinitrile;2-Phenyl-2-(1-benzyl-4-piperidinyl)pentanedinitrile

Chemical Property of 2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile

Chemical Property:

• Vapor Pressure: 1.62E-11mmHg at 25°C
• Boiling Point: 534.9°C at 760 mmHg
• Flash Point: 229.6°C
• PSA: 50.82000
• Density: 1.115g/cm³
• LogP: 4.60186
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 343.204847810
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

99% ^*data from raw suppliers

2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(CCC#N)(C#N)C2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile

There total 2 articles about 2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile 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:

N-benzyl-2-phenyl-2-(piperidin-4-yl)acetonitrile (7254-21-9) + acrylonitrile (107-13-1,25014-41-9) → 2-(1-benzyl-piperidin-4-yl)-2-phenyl-pentanedinitrile (83898-32-2)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; at 0 - 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2008.07.115

Reference yield:

→ 2-(1-benzyl-piperidin-4-yl)-2-phenyl-pentanedinitrile (83898-32-2)

Guidance literature:

entspr. 4-(α-Cyanobenzyl)piperidin, Acrylnitril;

Reference yield:

2-(1-benzyl-piperidin-4-yl)-2-phenyl-pentanedinitrile (83898-32-2) → Benzetimide (14051-33-3)

Guidance literature:

With sulfuric acid; In acetic acid; at 165 ℃;

DOI:10.1016/j.bmcl.2008.07.115

upstream raw materials:

N-benzyl-2-phenyl-2-(piperidin-4-yl)acetonitrile

acrylonitrile

Downstream raw materials:

Benzetimide

Refernces