1-[(3,4-Dichlorophenyl)methyl]benzimidazole

Base Information

• Chemical Name: 1-[(3,4-Dichlorophenyl)methyl]benzimidazole
• CAS No.: 312631-78-0
• Molecular Formula: C₁₄H₁₀Cl₂N₂
• Molecular Weight: 277.153
• DSSTox Substance ID: DTXSID301240765
• Nikkaji Number: J3.267.030J
• ChEMBL ID: CHEMBL570782

Synonyms:312631-78-0;1-(3,4-dichlorobenzyl)-1H-benzimidazole;1-[(3,4-dichlorophenyl)methyl]benzimidazole;Cambridge id 5571325;CHEMBL570782;DTXSID301240765;STK059108;AKOS000562551;CCG-291486;NCGC00242464-01;1-(3,4-Dichlorobenzyl)-1H-benzoimidazole;AB00089765-01;1-[(3,4-Dichlorophenyl)methyl]-1H-benzimidazole;EN300-15832719;1-[(3,4-dichlorophenyl)methyl]-1H-1,3-benzodiazole;Z26333447

Chemical Property of 1-[(3,4-Dichlorophenyl)methyl]benzimidazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 276.0221037
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CN2CC3=CC(=C(C=C3)Cl)Cl

Technology Process of 1-[(3,4-Dichlorophenyl)methyl]benzimidazole

There total 2 articles about 1-[(3,4-Dichlorophenyl)methyl]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: 92.0%

benzoimidazole (51-17-2,79351-71-6) → 1-(3,4-dichloro-benzyl)-1H-benzimidazole (312631-78-0)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

3,4-dichlorobenzyl halide; In tetrahydrofuran; for 8h; Inert atmosphere; Schlenk technique; Heating;

DOI:10.1016/j.jorganchem.2014.01.007

Reference yield:

benzoimidazole (51-17-2,79351-71-6) + 3,4-Dichlorophenylmethyl chloride (102-47-6) → 1-(3,4-dichloro-benzyl)-1H-benzimidazole (312631-78-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1248/cpb.c12-00342

Reference yield: 69.0%

[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 (52462-29-0) + 1-(3,4-dichloro-benzyl)-1H-benzimidazole (312631-78-0) → dichloro-(N-(3,4-dichlorobenzyl)benzimidazole)(p-cymene)ruthenium (1569410-44-1)

Guidance literature:

In toluene; at 110 ℃; for 5h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2014.01.007

upstream raw materials:

benzoimidazole

3,4-Dichlorophenylmethyl chloride

Downstream raw materials:

(E)-4-(2-(2-((1-(3,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)methylene)hydrazinyl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine

C₁₅H₁₀Cl₂N₂O

dichloro-(N-(3,4-dichlorobenzyl)benzimidazole)(p-cymene)ruthenium

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