3-(1H-Imidazol-1-ylmethyl)benzylamine

Base Information

• Chemical Name: 3-(1H-Imidazol-1-ylmethyl)benzylamine
• CAS No.: 159148-87-5
• Molecular Formula: C₁₁H₁₃N₃
• Molecular Weight: 187.244
• European Community (EC) Number: 854-737-5
• Mol file: 159148-87-5.mol

Synonyms:159148-87-5;3-(1H-Imidazol-1-ylmethyl)benzylamine;[3-(1H-imidazol-1-ylmethyl)phenyl]methanamine;[3-(imidazol-1-ylmethyl)phenyl]methanamine;{3-[(1H-imidazol-1-yl)methyl]phenyl}methanamine;1-[3-(1H-imidazol-1-ylmethyl)phenyl]methanamine;SCHEMBL24733003;AKOS000144424;MCULE-2319637158;TS-01483;CS-0246242;EN300-32042;1-{3-[(1h-imidazol-1-yl)methyl]phenyl}methanamine;F8881-2727

Chemical Property of 3-(1H-Imidazol-1-ylmethyl)benzylamine

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)CN2C=CN=C2)CN

Technology Process of 3-(1H-Imidazol-1-ylmethyl)benzylamine

There total 2 articles about 3-(1H-Imidazol-1-ylmethyl)benzylamine 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: 14.0%

3-(imidazol-1-ylmethyl)benzonitrile (143426-59-9) → C11H13N3 (159148-87-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 12h;

DOI:10.1021/jo2004007

Reference yield:

m-(bromomethyl)benzonitrile (28188-41-2) → C11H13N3 (159148-87-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 0.5 h / Reflux

2: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 20 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; acetonitrile;

DOI:10.1021/jo2004007

Reference yield: 36.0%

C11H13N3 (159148-87-5) + 1,3-di(tert-butyloxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine (207857-15-6) → N''-(3-(imidazol-1-yl)methylbenzyl)-N,N'-bis(tert-butoxycarbonyl)guanidine (1311939-56-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1021/jo2004007

upstream raw materials:

3-(imidazol-1-ylmethyl)benzonitrile

m-(bromomethyl)benzonitrile

Downstream raw materials:

N''-(3-(imidazol-1-yl)methylbenzyl)-N,N'-bis(tert-butoxycarbonyl)guanidine