2-Phenyl-6-(trifluoromethyl)-1H-benzo[D]imidazole

Base Information

• Chemical Name: 2-Phenyl-6-(trifluoromethyl)-1H-benzo[D]imidazole
• CAS No.: 91437-85-3
• Molecular Formula: C14H9F3N2
• Molecular Weight: 262.234
• ChEMBL ID: CHEMBL1164334
• DSSTox Substance ID: DTXSID40556531
• Nikkaji Number: J570.088D
• Wikidata: Q82438103
• Mol file: 91437-85-3.mol

Synonyms:2-PHENYL-6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE;91437-85-3;CHEMBL1164334;2-phenyl-6-(trifluoromethyl)-1H-benzimidazole;SCHEMBL20445295;DTXSID40556531;USTBLMSPAVZZOE-UHFFFAOYSA-N;BDBM50553693;MFCD17926240;2-phenyl-5-(trifluoromethyl)-1H-benzoimidazole;F15225;Z637706792

Chemical Property of 2-Phenyl-6-(trifluoromethyl)-1H-benzo[D]imidazole

Chemical Property:

• PSA: 28.68000
• LogP: 4.24870
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 262.07178278
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

2-Phenyl-6-(trifluoromethyl)-1H-benzo[d]imidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F

Technology Process of 2-Phenyl-6-(trifluoromethyl)-1H-benzo[D]imidazole

There total 4 articles about 2-Phenyl-6-(trifluoromethyl)-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: 91.0%

C14H10F3N3O2 (1224442-16-3) → 2-phenyl-6-(trifluoromethyl)-1H-benzo[d]imidazole (91437-85-3)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; acetic acid; at 20 - 80 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.02.019

Reference yield: 65.8%

benzylamine (100-46-9) + 4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2-phenyl-6-(trifluoromethyl)-1H-benzo[d]imidazole (91437-85-3)

Guidance literature:

With iodine; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1021/jo5000797

Reference yield: 59.0%

N-benzyl-2-iodo-4-(trifluoromethyl)aniline (1308866-07-0) → 2-phenyl-6-(trifluoromethyl)-1H-benzo[d]imidazole (91437-85-3)

Guidance literature:

With copper(l) iodide; sodium azide; N,N,N,N,-tetramethylethylenediamine; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 130 ℃; for 24h;

DOI:10.1055/s-0036-1588086

upstream raw materials:

C₁₄H₁₀F₃N₃O₂

benzylamine

4-(trifluoromethyl)-1,2-phenylenediamine

N-benzyl-2-iodo-4-(trifluoromethyl)aniline