2-(2,6-difluorophenyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(2,6-difluorophenyl)-1H-benzimidazole
• CAS No.: 164593-05-9
• Molecular Formula: C13H8F2N2
• Molecular Weight: 230.21300
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40364714
• Nikkaji Number: J2.013.018K
• Wikidata: Q82148819
• Mol file: 164593-05-9.mol

Synonyms:2-(2,6-difluorophenyl)-1H-benzimidazole;164593-05-9;2-(2,6-difluorophenyl)-1H-benzo[d]imidazole;1H-Benzimidazole, 2-(2,6-difluorophenyl)-;2-(2,6-difluorophenyl)-1H-1,3-benzodiazole;2-(2,6-difluorophenyl)benzimidazole;2-(2,6-Difluoro-phenyl)-1H-benzoimidazole;SCHEMBL1251548;DTXSID40364714;MFCD06490681;STK866261;AKOS000275578;BB 0241960;CS-0270616;F15030;SR-01000025075;SR-01000025075-1;F3068-0216;Z111716098

Chemical Property of 2-(2,6-difluorophenyl)-1H-benzimidazole

Chemical Property:

• Melting Point: 202 °C
• Boiling Point: 390.6±52.0 °C(Predicted)
• PKA: 10.69±0.10(Predicted)
• PSA: 28.68000
• Density: 1.363±0.06 g/cm3(Predicted)
• LogP: 3.50810
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.06555459
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

2-(2,6-Difluorophenyl)-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC=C3F)F

Technology Process of 2-(2,6-difluorophenyl)-1H-benzimidazole

There total 7 articles about 2-(2,6-difluorophenyl)-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: 85.0%

2,6-difluoro-N-(2-nitrophenyl)benzamide (199594-48-4) → 2-(2′,6′-difluorophenyl)benzimidazole (164593-05-9)

Guidance literature:

With iron; acetic acid; for 0.5h; Heating;

DOI:10.1021/jm970096g

Reference yield: 82.0%

1,2-diamino-benzene (95-54-5) + 2,6-difluorobenzoylchloride (18063-02-0) → 2-(2′,6′-difluorophenyl)benzimidazole (164593-05-9)

Guidance literature:

1,2-diamino-benzene; 2,6-difluorobenzoylchloride; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 4h;

With sodium acetate; In acetic acid; for 21h; Further stages.; Heating;

DOI:10.1016/j.jorganchem.2007.12.001

Reference yield: 58.0%

1,2-diamino-benzene (95-54-5) + 2,6-difluorobenzoic acid (385-00-2) → 2-(2′,6′-difluorophenyl)benzimidazole (164593-05-9)

Guidance literature:

With triphenyl phosphite; In pyridine; at 220 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.02.127

upstream raw materials:

2,6-difluoro-N-(2-nitrophenyl)benzamide

1,2-diamino-benzene

2,6-difluorobenzoic acid

2,6-difluorobenzoylchloride

Downstream raw materials:

1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)benzoimidazole

1-benzyl-2-(2,6-difluorophenyl)benzimidazole

[CoCl₂(2-(2,6-difluorophenyl)-1H-benzimidazole)2]