4,6-Difluorobenzimidazole

Base Information

• Chemical Name: 4,6-Difluorobenzimidazole
• CAS No.: 2208-24-4
• Molecular Formula: C₇H₄F₂N₂
• Molecular Weight: 154.119
• Hs Code.: 2933990090
• European Community (EC) Number: 672-821-8
• NSC Number: 41846
• DSSTox Substance ID: DTXSID00285436
• Nikkaji Number: J3.576.868H
• Wikidata: Q82020803
• Mol file: 2208-24-4.mol

Synonyms:4,6-Difluorobenzimidazole;2208-24-4;4,6-difluoro-1H-benzimidazole;4,6-difluoro-1H-1,3-benzodiazole;4,6-Difluoro-1H-benzo[d]imidazole;5,7-difluoro-1h-benzimidazole;NSC41846;SCHEMBL616606;DTXSID00285436;MFCD03425145;NSC-41846;AKOS006343471;AKOS017390796;PS-6799;CS-0209427

Chemical Property of 4,6-Difluorobenzimidazole

Chemical Property:

• Vapor Pressure: 6.74E-05mmHg at 25°C
• Boiling Point: 354.7°Cat760mmHg
• Flash Point: 168.3°C
• PSA: 28.68000
• Density: 1.488g/cm³
• LogP: 1.84110
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.03425446
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

4,6-Difluorobenzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1NC=N2)F)F

Technology Process of 4,6-Difluorobenzimidazole

There total 3 articles about 4,6-Difluorobenzimidazole 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: 78.0%

formic acid (64-18-6) + 3,5-difluoro-1,2-phenylenediamine (2369-29-1) → 4,6-difluoro-1H-benzimidazole (2208-24-4)

Guidance literature:

for 4h; Reflux;

DOI:10.1055/s-0035-1560911

Reference yield:

2-amino-3,5-difluoronitrobenzene (364-30-7) → 4,6-difluoro-1H-benzimidazole (2208-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; tin / 1.5 h / Reflux

2: 4 h / Reflux

With hydrogenchloride; tin;

DOI:10.1055/s-0035-1560911

Reference yield:

→ 4,6-difluoro-1H-benzimidazole (2208-24-4)

Guidance literature:

2,4-Difluor-6-nitro-anilin (Hydrierung an Pt in A. abs.), dann + Diethoxymethyl-acetat (3 h, RT).;

DOI:10.1021/jm00330a001

upstream raw materials:

2-amino-3,5-difluoronitrobenzene

formic acid

3,5-difluoro-1,2-phenylenediamine

Downstream raw materials:

1-deoxy-1-(4,6-difluoro-1H-benzimidazol-1-yl)-5-O-(4,4'-dimethoxytrityl)-β-D-ribofuranose

2-O-[(tert-butyl)dimethylsilyl]-1-deoxy-1-(4,6-difluoro-1H-benzimidazol-1-yl)-5-O-(4,4'-dimethoxytrityl)-β-D-ribofuranose

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