4-(Benzylamino)butanenitrile

Base Information

• Chemical Name: 4-(Benzylamino)butanenitrile
• CAS No.: 71510-64-0
• Molecular Formula: C11H14 N2
• Molecular Weight: 174.246
• European Community (EC) Number: 275-588-7
• DSSTox Substance ID: DTXSID50991994
• Nikkaji Number: J289.194H
• Wikidata: Q82981995
• ChEMBL ID: CHEMBL4529366
• Mol file: 71510-64-0.mol

Synonyms:4-(benzylamino)butanenitrile;71510-64-0;EINECS 275-588-7;4-((Benzyl)amino)butyronitrile;4-[(benzyl)amino]butyronitrile;N-(3-cyanopropyl)benzylamine;4-benzylaminobutyronitrile;N-benzyl-4-aminobutyronitrile;SCHEMBL7621212;CHEMBL4529366;DTXSID50991994;NZJWITSLFKTATC-UHFFFAOYSA-N;AKOS000251243;CS-0305807;EN300-150820

Chemical Property of 4-(Benzylamino)butanenitrile

Chemical Property:

• Vapor Pressure: 0.000352mmHg at 25°C
• Boiling Point: 318.9°C at 760 mmHg
• Flash Point: 146.6°C
• PSA: 35.82000
• Density: 1.001g/cm³
• LogP: 2.47088
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Benzylamino)butanenitrile

There total 6 articles about 4-(Benzylamino)butanenitrile 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: 92.0%

cyano acrylate (1027379-53-8) + benzylamine (100-46-9) → N-(3-cyanopropyl)benzylamine (71510-64-0)

Guidance literature:

With aluminium incorporated mesoporous aluminosilicate nano-cage material; In neat (no solvent); at 20 ℃; for 1.5h;

DOI:10.1016/j.molcata.2014.06.031

Reference yield: 92.0%

cyclobutanone O-perfluorobenzoyl oxime + benzylamine (100-46-9) → N-(3-cyanopropyl)benzylamine (71510-64-0)

Guidance literature:

With 2,6-bis[(4S)-4-methyl-4,5-dihydrooxazol-2-yl]pyridine; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.9b01084

Reference yield: 89.0%

4-Chlorobutyronitrile (628-20-6) + benzylamine (100-46-9) → N-(3-cyanopropyl)benzylamine (71510-64-0)

Guidance literature:

at 20 - 25 ℃; for 168h;

DOI:10.1002/ardp.19813140714

upstream raw materials:

benzylamine

4-bromobutanenitrile

4-Chlorobutyronitrile

cyano acrylate

Downstream raw materials:

N-(4-aminobutyl)(phenylmethyl)amine

N-(p-chloro)benzoyl-4-benzylaminobutyronitrile

1-benzyl-2,3-dioxopiperidine-4-carbonitrile

3-amino-6-benzyl-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one