2-(chloromethyl)-5-fluoro-1H-benzimidazole

Base Information

• Chemical Name: 2-(chloromethyl)-5-fluoro-1H-benzimidazole
• CAS No.: 156144-42-2
• Molecular Formula: C8H6 Cl F N2
• Molecular Weight: 184.6
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID80465734
• Wikidata: Q82291925
• Mol file: 156144-42-2.mol

Synonyms:156144-42-2;2-(chloromethyl)-5-fluoro-1H-benzimidazole;2-(chloromethyl)-6-fluoro-1H-benzo[d]imidazole;2-Chloromethyl-6-fluoro-1H-benzoimidazole;2-(Chloromethyl)-6-fluoro-1H-Benzimidazole;2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole;2-Chloromethyl-5-fluoro-1H-benzoimidazole;SCHEMBL1083641;DTXSID80465734;5-fluoro-2-chloromethylbenzimidazole;MFCD08234909;AKOS000321187;AKOS015850536;AB43686;AS-5781;BB 0240393;CS-0437917;FT-0762532;A18243;E76859;2-(chloromethyl)-5-fluoro-1H-benzo[d]imidazole;1H-1,3-Benzimidazole, 2-(chloromethyl)-5-fluoro-

Chemical Property of 2-(chloromethyl)-5-fluoro-1H-benzimidazole

Chemical Property:

• PSA: 28.68000
• LogP: 2.44080
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.0203541
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

2-(chloromethyl)-5-fluoro-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)NC(=N2)CCl

Technology Process of 2-(chloromethyl)-5-fluoro-1H-benzimidazole

There total 5 articles about 2-(chloromethyl)-5-fluoro-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: 90.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + chloroacetic acid (79-11-8) → 6-fluoro-(2-chloromethyl)benzimidazole (156144-42-2)

Guidance literature:

4-fluoro-1,2-phenylenediamine; chloroacetic acid; With hydrogenchloride; In water; for 2h; Heating / reflux;

With sodium carbonate; In water; at 25 ℃;

Reference yield: 86.0%

4-fluoro-1,2-phenylenediamine (367-31-7) + chloroacetic acid (79-11-8) → 2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole (156144-42-2)

Guidance literature:

4-fluoro-1,2-phenylenediamine; chloroacetic acid; With water; In water; at 95 ℃; for 6h;

With sodium hydrogencarbonate; In water; pH=9;

Reference yield: 80.0%

(5-fluoro-1H-benzimidazole-2-yl)methanol (39811-07-9) → 2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole (156144-42-2)

Guidance literature:

With thionyl chloride; In dichloromethane; at 10 ℃; for 5h;

DOI:10.3390/molecules200815206

upstream raw materials:

4-fluoro-1,2-phenylenediamine

chloroacetic acid

(5-fluoro-1H-benzimidazole-2-yl)methanol