2-Chloro-6-(trifluoromethyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole
• CAS No.: 86604-86-6
• Molecular Formula: C8H4ClF3N2
• Molecular Weight: 220.581
• Hs Code.: 2933990090
• Mol file: 86604-86-6.mol

Synonyms:1H-Benzimidazole,2-chloro-5-(trifluoromethyl)- (9CI);2-Chloro-5-(trifluoromethyl)-1H-benzimidazole;2-Chloro-6-trifluoromethyl-1H-benzimidazole;

Chemical Property of 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 0.000286mmHg at 25°C
• Melting Point: 186-188 °C
• Refractive Index: 1.575
• Boiling Point: 322.1 °C at 760 mmHg
• PKA: 8.75±0.10(Predicted)
• Flash Point: 148.6 °C
• PSA: 28.68000
• Density: 1.569 g/cm³
• LogP: 3.23510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-6-(trifluoromethyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole is a useful reagent in preparing chiral 2-aminobenzimidazoles as recoverable organocatalyst.

Technology Process of 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole

There total 6 articles about 2-Chloro-6-(trifluoromethyl)-1H-benzimidazole 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%

5-(trifluoromethyl)-1,3-dihydro-2H-benzoimidazol-2-one (133687-93-1) → 2-chloro-5-(trifluoromethyl)-1H-1,3-benzimidazole (86604-86-6)

Guidance literature:

With trichlorophosphate; at 95 ℃; for 18h;

Reference yield: 79.0%

5-(trifluoromethyl)-1,3-dihydro-2H-benzoimidazol-2-one (133687-93-1) → 2-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole (86604-86-6)

Guidance literature:

With trichlorophosphate; at 105 ℃; for 1h;

Reference yield:

4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole (86604-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / tetrahydrofuran / 16 h / 20 °C

2: 67 percent / POCl₃ / 16 h / 95 °C

With trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm060065y

upstream raw materials:

5-(trifluoromethyl)-1,3-dihydro-2H-benzoimidazol-2-one

4-(trifluoromethyl)-1,2-phenylenediamine

1,1'-carbonyldiimidazole

Downstream raw materials:

(1R,2R)-N₁-{6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl}cyclohexane-1,2-diamine

C₂₀H₁₃ClF₃N₃O

3-phenyl-8-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3,8-diazaspiro-[4.5]decan-2-one

3-(3,4-dichlorophenyl)-8-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3,8-diazaspiro-[4.5]decan-2-one

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