2-Phenyl-4-benzylimidazole

Base Information

• Chemical Name: 2-Phenyl-4-benzylimidazole
• CAS No.: 21194-81-0
• Molecular Formula: C16H14N2
• Molecular Weight: 234.301
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30450519
• Nikkaji Number: J26.578K
• Wikidata: Q82270288
• Mol file: 21194-81-0.mol

Synonyms:2-PHENYL-4-BENZYLIMIDAZOLE;21194-81-0;SCHEMBL17622;2-Phenyl-4-benzyl-1H-imidazole;DTXSID30450519

Chemical Property of 2-Phenyl-4-benzylimidazole

Chemical Property:

• Melting Point: 168-169 °C
• Boiling Point: 448.3±14.0 °C(Predicted)
• PKA: 13.13±0.10(Predicted)
• PSA: 28.68000
• Density: 1.139±0.06 g/cm3(Predicted)
• LogP: 3.66750
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 234.115698455
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CN=C(N2)C3=CC=CC=C3

Technology Process of 2-Phenyl-4-benzylimidazole

There total 9 articles about 2-Phenyl-4-benzylimidazole 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: 87.0%

4-Benzyl-2-phenyl-4,5-dihydro-1H-imidazole (131548-82-8) → 4-benzyl-2-phenyl-1H-imidazole (21194-81-0)

Guidance literature:

palladium on activated charcoal; In toluene; for 40h; Heating;

Reference yield: 73.0%

N-(3-phenylprop-2-yn-1-yl)benzimidamide → 4-benzyl-2-phenyl-1H-imidazole (21194-81-0)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 2h; Green chemistry;

DOI:10.1002/ejoc.201801351

Reference yield: 61.0%

3-phenyl-prop-2-ynylamine (78168-74-8) + benzonitrile (100-47-0) → 4-benzyl-2-phenyl-1H-imidazole (21194-81-0)

Guidance literature:

With [?:η1:η5-(OCH2)(Me2NCH2)C2B9H9]Ti(NMe2); In toluene; at 115 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja101796k

upstream raw materials:

4-Benzyl-2-phenyl-4,5-dihydro-1H-imidazole

methyl benzimidate

N-propargyl-benzamidine

iodobenzene