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

Base Information

• Chemical Name: 2-(Chloromethyl)-6-(trifluoromethyl)-1H-benzo[D]imidazole
• CAS No.: 107430-29-5
• Molecular Formula: C9H6 Cl F3 N2
• Molecular Weight: 234.608
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80555846
• Wikidata: Q82437269
• Mol file: 107430-29-5.mol

Synonyms:107430-29-5;2-(CHLOROMETHYL)-6-(TRIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOLE;2-Chloromethyl-6-trifluoromethyl-1H-benzoimidazole;2-(chloromethyl)-6-(trifluoromethyl)-1H-benzimidazole;MFCD08234908;2-(chloromethyl)-6-(trifluoromethyl)-1H-1,3-benzodiazole;1H-Benzimidazole,2-(chloromethyl)-6-(trifluoromethyl)-;2-(chloromethyl)-6-(trifluoromethyl)benzimidazole;SCHEMBL367831;1H-Benzimidazole, 2-(chloromethyl)-5-(trifluoromethyl)-;DTXSID80555846;AKOS015850535;AKOS017558420;AB60820;AS-5780;MB05858;SY345963;5-trifluoromethyl-2-chloromethylbenzimidazole;E76858;EN300-5529700;2-(chloromethyl)-5-(trifluoromethyl)-1H-1,3-benzodiazole;2-(CHLOROMETHYL)-5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE

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

Chemical Property:

• PSA: 28.68000
• LogP: 3.32050
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.0171604
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloromethyl-6-trifluoromethyl-1H-benzoimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCl

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

There total 2 articles about 2-(Chloromethyl)-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:

chloroacetic acid (79-11-8) + 4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2-(chloromethyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole (107430-29-5)

Guidance literature:

With hydrogenchloride; In water; at 100 - 120 ℃; for 5h;

Reference yield:

chloroacetic acid (79-11-8) + 4-(trifluoromethyl)-1,2-phenylenediamine (368-71-8) → 2-(chloromethyl)-6-(trifluoromethyl)-1H-benzo[d]imidazole (107430-29-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0960-894X(02)00056-2

Reference yield: 6.0%

2-(chloromethyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole (107430-29-5) + 2-(2-aminoethyl)-N-benzyl-1,3-thiazole-4-carboxamide hydrochloride → N-benzyl-2-[2-({[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]methyl}amino)ethyl]-1,3-thiazole-4-carboxamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

upstream raw materials:

chloroacetic acid

4-(trifluoromethyl)-1,2-phenylenediamine

Downstream raw materials:

PF-4708671

Refernces

• 1、 He, Wei,Hanney, Barbara,Myers, Michael R,Condon, Stephen,Becker, Michael R,Spada, Alfred P,Burns, Christopher,Brown, Karen,Colussi, Dennis,Chu, Valeria. "Benzimidazoles and isosteric compounds as potent and selective factor Xa inhibitors.". . p. 919 - 922. Retrieved 2007/10/03.