Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)-

Base Information

• Chemical Name: Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)-
• CAS No.: 112089-20-0
• Molecular Formula: C15H14 N6
• Molecular Weight: 278.3119
• DSSTox Substance ID: DTXSID10149878
• Nikkaji Number: J883.076B
• Wikidata: Q83015757
• ChEMBL ID: CHEMBL7893
• Mol file: 112089-20-0.mol

Synonyms:112089-20-0;Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)-;3-[[6-(dimethylamino)purin-9-yl]methyl]benzonitrile;Benzonitrile, 3-[[6-(dimethylamino)-9H-purin-9-yl]methyl]-;CHEMBL7893;DTXSID10149878;3-[[6-(Dimethylamino)-9H-purin-9-yl]methyl]benzonitrile

Chemical Property of Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)-

Chemical Property:

• Vapor Pressure: 8.86E-11mmHg at 25°C
• Boiling Point: 516.6°C at 760 mmHg
• Flash Point: 266.2°C
• Density: 1.26g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.12799447
• Heavy Atom Count: 21
• Complexity: 402

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2CC3=CC(=CC=C3)C#N

Technology Process of Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)-

There total 1 articles about Benzonitrile, 3-((6-(dimethylamino)-9H-purin-9-yl)methyl)- 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%

3-(6-chloro-purin-9-ylmethyl)-benzonitrile (112089-32-4) + dimethyl amine (124-40-3) → 6-(Dimethylamino)-9-(3-cyanobenzyl)-9H-purine (112089-20-0)

Guidance literature:

In ethanol; water; for 15h; Ambient temperature;

DOI:10.1021/jm00398a019

upstream raw materials:

3-(6-chloro-purin-9-ylmethyl)-benzonitrile

dimethyl amine

Refernces