4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole

Base Information

• Chemical Name: 4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole
• CAS No.: 70165-35-4
• Molecular Formula: C17H18N2
• Molecular Weight: 250.343
• DSSTox Substance ID: DTXSID50602871
• Wikidata: Q82500069
• Mol file: 70165-35-4.mol

Synonyms:70165-35-4;4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole;SCHEMBL3315653;DTXSID50602871

Chemical Property of 4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.146998583
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C

Technology Process of 4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole

There total 6 articles about 4,4-Dimethyl-1,2-diphenyl-4,5-dihydro-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: 50.0%

N'-acetoxy-N-isobutyl-N-phenylbenzimidamide → 4,4-dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole (70165-35-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; In toluene; at 100 ℃; for 5h; under 760.051 Torr; Inert atmosphere;

DOI:10.1039/c3ob41871e

Reference yield: 19.0%

N-isobutyl-N-phenylbenzimidamide (1416437-39-2) → 4,4-dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole (70165-35-4)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; [bis(acetoxy)iodo]benzene; copper diacetate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol303302r

Reference yield:

N-isobutylaniline (588-47-6) + benzonitrile (100-47-0) → 4,4-dimethyl-1,2-diphenyl-4,5-dihydro-1H-imidazole (70165-35-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trimethylaluminum / toluene / 1 h / 0 - 20 °C

1.2: 20 h / 100 °C

2.1: copper diacetate; potassium phosphate; [bis(acetoxy)iodo]benzene; 1,10-Phenanthroline / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere

With potassium phosphate; 1,10-Phenanthroline; [bis(acetoxy)iodo]benzene; trimethylaluminum; copper diacetate; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/ol303302r

upstream raw materials:

N-isobutylaniline

benzonitrile

N-isobutyl-N-phenylbenzimidamide

benzohydroximoyl chloride