1-[Bis(4-chlorophenyl)methyl]-1H-imidazole

Base Information

• Chemical Name: 1-[Bis(4-chlorophenyl)methyl]-1H-imidazole
• CAS No.: 102993-59-9
• Molecular Formula: C16H12Cl2N2
• Molecular Weight: 303.191
• ChEMBL ID: CHEMBL335215
• DSSTox Substance ID: DTXSID00602806
• Nikkaji Number: J272.118J
• Wikidata: Q82499992
• Mol file: 102993-59-9.mol

Synonyms:CHEMBL335215;1-[Bis(4-chlorophenyl)methyl]-1H-imidazole;102993-59-9;SCHEMBL10693298;DTXSID00602806;BDBM50014756;1-[Bis-(4-chloro-phenyl)-methyl]-1H-imidazole

Chemical Property of 1-[Bis(4-chlorophenyl)methyl]-1H-imidazole

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 302.0377538
• Heavy Atom Count: 20
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=CN=C3)Cl

Technology Process of 1-[Bis(4-chlorophenyl)methyl]-1H-imidazole

There total 3 articles about 1-[Bis(4-chlorophenyl)methyl]-1H-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: 69.0%

1H-imidazole (288-32-4) + chlorobis(4-chlorophenyl)methane (782-08-1) → 1-[bis-(4-chlorophenyl)methyl]imidazole (102993-59-9)

Guidance literature:

In acetonitrile; for 2h; Heating;

DOI:10.1021/jm00163a065

Reference yield:

4,4'-Dichlorobenzophenone (90-98-2) → 1-[bis-(4-chlorophenyl)methyl]imidazole (102993-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate; methanol / 0 °C

2: acetonitrile / 3 h / Reflux; Inert atmosphere

With methanol; sodium tetrahydroborate; In acetonitrile;

DOI:10.3390/ph14020169

Reference yield:

4,4'-dichlorobenzophenone (90-97-1) + 1,1'-carbonyldiimidazole (530-62-1) → 1-[bis-(4-chlorophenyl)methyl]imidazole (102993-59-9)

Guidance literature:

In acetonitrile; for 3h; Reflux; Inert atmosphere;

DOI:10.3390/ph14020169

upstream raw materials:

1H-imidazole

chlorobis(4-chlorophenyl)methane

4,4'-dichlorobenzophenone

1,1'-carbonyldiimidazole

Downstream raw materials:

1-(bis(4-chlorophenyl)methyl)-3-decylimidazol-3-ium bromide

1-(bis(4-chlorophenyl)methyl)-3-tetradecylimidazol-3-ium bromide

1-(bis(4-chlorophenyl)methyl)-3-octadecylimidazol-3-ium bromide

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