2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole
• CAS No.: 154660-96-5
• Molecular Formula: C₁₄H₁₀Cl₂N₂
• Molecular Weight: 277.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70366569
• Nikkaji Number: J3.033.103F
• ChEMBL ID: CHEMBL355666
• Mol file: 154660-96-5.mol

Synonyms:154660-96-5;2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole;2-[(2,4-dichlorophenyl)methyl]-1H-benzimidazole;2-(2,4-DICHLOROBENZYL)-1H-BENZIMIDAZOLE;1H-Benzimidazole,2-[(2,4-dichlorophenyl)methyl]-;1H-Benzimidazole, 2-[(2,4-dichlorophenyl)methyl]-;CHEMBL355666;2-((2,4-dichlorophenyl)methyl)-1h-benzimidazole;2-(2,4-dichlorobenzyl)benzimidazole;SCHEMBL2948135;DTXSID70366569;BCP13086;BDBM50404893;MFCD01250229;AKOS001057329;AM84505;AC-22666;DS-18576;2-(2,4-Dichlorobenzyl)-1H-benzoimidazole;2-(2,4-Dichloro-benzyl)-1H-benzoimidazole;CS-0155895;FT-0688155;2-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazole;Z55692933

Chemical Property of 2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole

Chemical Property:

• Boiling Point: 503.1±40.0 °C(Predicted)
• PKA: 11.58±0.10(Predicted)
• PSA: 28.68000
• Density: 1.396
• LogP: 4.46050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 276.0221037
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=C(C=C(C=C3)Cl)Cl

Technology Process of 2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole

There total 3 articles about 2-(2,4-Dichlorobenzyl)-1H-benzo[d]imidazole 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: 95.0%

ethyl 2-(2,4-dichlorophenyl)acetimidate hydrochloride (5922-21-4) + 1,2-diamino-benzene (95-54-5) → 2-(2,4-dichlorobenzyl)-1H-benzimidazole (154660-96-5)

Guidance literature:

In methanol; at 65 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.bioorg.2016.08.011

Reference yield: 85.9%

2,4-dichlorophenylacetic acid (19719-28-9) + 1,2-diamino-benzene (95-54-5) → 2-(2,4-dichlorobenzyl)-1H-benzimidazole (154660-96-5)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 130 ℃; for 6.08333h;

Reference yield:

2,4-Dichlorophenylacetonitrile (6306-60-1) → 2-(2,4-dichlorobenzyl)-1H-benzimidazole (154660-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride

2: methanol / 0.17 h / 65 °C / Microwave irradiation

With hydrogenchloride; In methanol;

DOI:10.1016/j.bioorg.2016.08.011

upstream raw materials:

ethyl 2-(2,4-dichlorophenyl)acetimidate hydrochloride

1,2-diamino-benzene

2,4-Dichlorophenylacetonitrile

2,4-dichlorophenylacetic acid

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