2-(4-methoxybenzyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(4-methoxybenzyl)-1H-benzimidazole
• CAS No.: 53039-62-6
• Molecular Formula: C15H14N2O
• Molecular Weight: 238.289
• DSSTox Substance ID: DTXSID80354119
• Nikkaji Number: J2.662.385E
• Wikidata: Q82132091
• ChEMBL ID: CHEMBL3770894
• Mol file: 53039-62-6.mol

Synonyms:2-(4-methoxybenzyl)-1H-benzimidazole;53039-62-6;2-[(4-methoxyphenyl)methyl]-1H-1,3-benzodiazole;2-(4-methoxybenzyl)-1H-benzo[d]imidazole;2-[(4-methoxyphenyl)methyl]-1H-benzimidazole;p-anisylbenzimidazole;F0126-0254;2-(4-Methoxy-benzyl)-1H-benzoimidazole;Oprea1_684603;IFLab1_000367;CHEMBL3770894;SCHEMBL11819475;DTXSID80354119;HMS1413A15;MFCD00729264;STK870463;AKOS000275109;IDI1_008586;BS-45327;BB 0241940;CS-0150394;EN300-33683;E74712;SR-01000416624;SR-01000416624-1;Z55692923

Chemical Property of 2-(4-methoxybenzyl)-1H-benzimidazole

Chemical Property:

• PSA: 37.91000
• LogP: 3.16230
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

99%, ^*data from raw suppliers

2-[(4-Methoxyphenyl)methyl]-1H-1,3-benzodiazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2

Technology Process of 2-(4-methoxybenzyl)-1H-benzimidazole

There total 5 articles about 2-(4-methoxybenzyl)-1H-benzimidazole 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: 90.0%

ethyl 2-(4-methoxyphenyl)acetimidate hydrochloride (58125-69-2) + 1,2-diamino-benzene (95-54-5) → 2-(4-methoxybenzyl)-1H-benzo[d]imidazole (53039-62-6)

Guidance literature:

In methanol; at 20 ℃; for 5h;

Reference yield: 86.0%

1-(2,2-dibromovinyl)-4-methoxybenzene (60512-57-4) + 1,2-diamino-benzene (95-54-5) → 2-(4-methoxybenzyl)-1H-benzo[d]imidazole (53039-62-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In 1-methyl-2-pyrrolidinone; at 100 ℃;

DOI:10.1016/j.tetlet.2008.10.030

Reference yield: 80.0%

4-Methoxyphenylacetic acid (104-01-8) + 1,2-diamino-benzene (95-54-5) → 2-(4-methoxybenzyl)-1H-benzo[d]imidazole (53039-62-6)

Guidance literature:

for 0.0833333h; microwave irradiation;

DOI:10.3390/molecules13040736

upstream raw materials:

4-Methoxyphenylacetic acid

1,2-diamino-benzene

1-(2,2-dibromovinyl)-4-methoxybenzene

4-methoxyphenylacetylen

Downstream raw materials:

(1H-benzo[d]imidazol-2-yl)(4-methoxyphenyl)methanone

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