1-Benzyl-2-phenyl-1H-imidazole

Base Information

• Chemical Name: 1-Benzyl-2-phenyl-1H-imidazole
• CAS No.: 37734-89-7
• Molecular Formula: C16H14N2
• Molecular Weight: 234.301
• Hs Code.: 2933290090
• European Community (EC) Number: 253-646-2
• UNII: K4WW55HN82
• DSSTox Substance ID: DTXSID90191173
• Nikkaji Number: J261.239I
• Wikidata: Q72442669
• Mol file: 37734-89-7.mol

Synonyms:1-Benzyl-2-phenyl-1H-imidazole;1-benzyl-2-phenylimidazole;37734-89-7;EINECS 253-646-2;K4WW55HN82;CUREZOL 1B2PZ;UNII-K4WW55HN82;SCHEMBL17621;DTXSID90191173;XZKLXPPYISZJCV-UHFFFAOYSA-N;AKOS032949644;1H-Imidazole, 2-phenyl-1-(phenylmethyl)-;2-PHENYL-1-(PHENYLMETHYL)-1H-IMIDAZOLE

Chemical Property of 1-Benzyl-2-phenyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.59E-07mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 427.9 °C at 760 mmHg
• PKA: 6.43±0.31(Predicted)
• Flash Point: 212.6 °C
• PSA: 17.82000
• Density: 1.06 g/cm³
• LogP: 3.59840
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• 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:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CN=C2C3=CC=CC=C3

Technology Process of 1-Benzyl-2-phenyl-1H-imidazole

There total 5 articles about 1-Benzyl-2-phenyl-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: 66.0%

2-Phenylimidazole (670-96-2) + benzyl bromide (100-39-0) → 1-benzyl-2-phenyl-1H-imidazole (37734-89-7)

Guidance literature:

2-Phenylimidazole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 1h;

benzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃;

Reference yield: 64.0%

1-benzylimidazole (4238-71-5) + phenyl N,N-dimethylcarbamate (6969-90-0) → 1-benzyl-2-phenyl-1H-imidazole (37734-89-7)

Guidance literature:

With potassium phosphate; bis(1,5-dicyclooctadiene)nickel; 1,2-bis-(dicyclohexylphosphino)ethane; In tert-Amyl alcohol; at 110 ℃;

DOI:10.1039/c5sc02942b

Reference yield: 64.0%

1-benzylimidazole (4238-71-5) + chlorobenzene (108-90-7) → 1-benzyl-2-phenyl-1H-imidazole (37734-89-7)

Guidance literature:

With potassium phosphate; bis(1,5-dicyclooctadiene)nickel; 1,2-bis-(dicyclohexylphosphino)ethane; In tert-Amyl alcohol; at 110 ℃; for 36h;

DOI:10.1039/c5sc02942b

upstream raw materials:

2-Phenylimidazole

benzyl bromide

1-benzylimidazole

phenyl N,N-dimethylcarbamate

Downstream raw materials:

2-Phenylimidazole

Refernces

• 1、 Muto, Kei,Hatakeyama, Taito,Yamaguchi, Junichiro,Itami, Kenichiro. "C-H arylation and alkenylation of imidazoles by nickel catalysis: Solvent-accelerated imidazole C-H activation". . p. 6792 - 6798. Retrieved 2015/11/24.