1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine

Base Information

• Chemical Name: 1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine
• CAS No.: 112086-47-2
• Molecular Formula: C₁₁H₁₃N₃
• Molecular Weight: 187.244
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10429460
• Wikidata: Q82242497

Synonyms:112086-47-2;1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine;{4-[(1H-imidazol-1-yl)methyl]phenyl}methanamine;(4-((1H-Imidazol-1-yl)methyl)phenyl)methanamine;[4-(imidazol-1-ylmethyl)phenyl]methanamine;4-(1H-Imidazol-1-ylmethyl)benzylamine;SCHEMBL7284368;4-imidazol-1-ylmethylbenzylamine;DTXSID10429460;4-imidazol-1-ylmethyl-benzylamine;MFCD08444250;STK353538;AKOS000264190;TS-01482;[4-(1H-imidazol-1-ylmethyl)benzyl]amine;CS-0056198;EN300-24411;[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine;F2124-0474

Chemical Property of 1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine

Chemical Property:

• PSA: 43.84000
• LogP: 3.69440
• 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: 164

Purity/Quality:

97% ^*data from raw suppliers

4-(1H-Imidazol-1-ylmethyl)benzylamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)CN2C=CN=C2

Technology Process of 1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine

There total 2 articles about 1-[4-(1H-imidazol-1-ylmethyl)phenyl]methanamine 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: 88.0%

4-(1-imidazolylmethyl)-benzonitrile (112809-54-8) → 4-(1H-imidazol-1-yl)methylphenylmethanamine (112086-47-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃; for 17h;

Reference yield:

4-cyanobenzyl bromide (17201-43-3) → 4-(1H-imidazol-1-yl)methylphenylmethanamine (112086-47-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 16 h / 90 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 17 h / 70 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; acetonitrile;

upstream raw materials:

4-cyanobenzyl bromide

4-(1-imidazolylmethyl)-benzonitrile

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