1-(4-methoxyphenyl)-1H-benzimidazole

Base Information

• Chemical Name: 1-(4-methoxyphenyl)-1H-benzimidazole
• CAS No.: 2622-61-9
• Molecular Formula: C14H12N2O
• Molecular Weight: 224.262
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90353512
• Nikkaji Number: J1.320.268K
• Wikidata: Q82131151
• ChEMBL ID: CHEMBL153101
• Mol file: 2622-61-9.mol

Synonyms:2622-61-9;1-(4-methoxyphenyl)-1H-benzimidazole;1-(4-Methoxyphenyl)-1H-benzoimidazole;1-(4-methoxyphenyl)benzimidazole;1-(4-methoxyphenyl)-1h-benzo[d]imidazole;SMR000140586;Cambridge id 5657731;MLS000533148;BDBM3822;CHEMBL153101;SCHEMBL10695254;1-Phenylbenzimidazole deriv. 39;DTXSID90353512;HMS2500E13;AKOS004113064;1-(4-methoxyphenyl)-1H-1,3-benzodiazole;AB00092084-01;SR-01000216114;SR-01000216114-1

Chemical Property of 1-(4-methoxyphenyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 1.51E-06mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 398.1 °C at 760 mmHg
• Flash Point: 194.6 °C
• PSA: 27.05000
• Density: 1.15 g/cm³
• LogP: 3.03410
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.094963011
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Methoxy-phenyl)-1H-benzoimidazole 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)N2C=NC3=CC=CC=C32

Technology Process of 1-(4-methoxyphenyl)-1H-benzimidazole

There total 31 articles about 1-(4-methoxyphenyl)-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: 99.0%

benzoimidazole (51-17-2,79351-71-6) + para-iodoanisole (696-62-8) → N-(4-methoxyphenyl)benzimidazole (2622-61-9)

Guidance literature:

With copper(l) iodide; 2-methyl-8-quinolinol; potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 24h;

DOI:10.1039/c8ra04094j

Reference yield: 99.0%

benzoimidazole (51-17-2,79351-71-6) + di-(4-methoxyphenyl)borinic acid (73774-45-5) → N-(4-methoxyphenyl)benzimidazole (2622-61-9)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; copper diacetate trihydrate; In methanol; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2017.10.043

Reference yield: 98.0%

benzoimidazole (51-17-2,79351-71-6) + triethoxy(4-methoxyphenyl)silane (35692-27-4) → N-(4-methoxyphenyl)benzimidazole (2622-61-9)

Guidance literature:

With copper diacetate; tetrabutyl ammonium fluoride; oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/ja001305g

upstream raw materials:

benzoimidazole

4-methoxyphenylboronic acid

triethoxy(4-methoxyphenyl)silane

N-(4-methoxyphenyl)benzene-1,2-diamine

Downstream raw materials:

1-(4-methoxyphenyl)-3-methylbenzimidazol-3-ium iodide

3-methoxy-5,6-diphenylbenzo[4,5]imidazo[1,2-a]quinoline

Refernces

• 1、 Zhang, Maoyuan,Xu, Zengbing,Shi, Dabin. "Cu(I)–N-heterocyclic carbene-catalyzed base free C–N bond formation of arylboronic acids with amines and azoles". . . Retrieved 2020/12/25.
• 2、 Sardarian,Kazemnejadi,Esmaeilpour. "Functionalization of superparamagnetic Fe3O4@SiO2 nanoparticles with a Cu(II) binuclear Schiff base complex as an efficient and reusable nanomagnetic catalyst for N-arylation of α-amino acids and nitrogen-containing heterocycles with aryl halides". . . Retrieved 2020/10/20.