1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine

Base Information

• Chemical Name: 1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine
• CAS No.: 36110-65-3
• Molecular Formula: C15H15N3O
• Molecular Weight: 253.29900
• DSSTox Substance ID: DTXSID70655581
• Wikidata: Q82569771
• Mol file: 36110-65-3.mol

Synonyms:36110-65-3;1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine;SCHEMBL2302207;DTXSID70655581;1-(3'-methoxy)benzyl-2-aminobenzimidazole

Chemical Property of 1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine

Chemical Property:

• PSA: 53.80000
• LogP: 2.60550
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.121512110
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2N

Technology Process of 1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine

There total 2 articles about 1-[(4-Methoxyphenyl)methyl]-1H-benzimidazol-2-amine 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:

1H-benzimidazol-2-amine (934-32-7) + p-Methoxybenzyl bromide (2746-25-0) → 1-(4-methoxy-benzyl)-1H-benzoimidazol-2-ylamine (36110-65-3)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1021/jm021043o

Reference yield:

→ 1-(4-methoxy-benzyl)-1H-benzoimidazol-2-ylamine (36110-65-3)

Guidance literature:

Benzimidazol VII, NaNH2 (neben d. Dimeren);

DOI:10.1007/BF00477393

Reference yield: 67.0%

1-dodecylbromide (143-15-7) + 1-(4-methoxy-benzyl)-1H-benzoimidazol-2-ylamine (36110-65-3) → 2-amino-3-dodecyl-1-(4-methoxybenzyl)-1H-3,1-benzimidazole bromide

Guidance literature:

In butanone; at 80 ℃; for 48h;

DOI:10.1021/jm021043o

upstream raw materials:

1H-benzimidazol-2-amine

p-Methoxybenzyl bromide

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