2-(2-fluorophenyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(2-fluorophenyl)-1H-benzimidazole
• CAS No.: 321-51-7
• Molecular Formula: C13H9FN2
• Molecular Weight: 212.226
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00352798
• Wikidata: Q82130156
• ChEMBL ID: CHEMBL1525678
• Mol file: 321-51-7.mol

Synonyms:2-(2-fluorophenyl)-1H-1,3-benzodiazole;321-51-7;2-(2-fluorophenyl)-1H-benzimidazole;2-(2-fluorophenyl)-1h-benzo[d]imidazole;Cambridge id 5804509;MLS000712237;SCHEMBL2243125;CHEMBL1525678;DTXSID00352798;HMS2690C22;MFCD01086283;STK002726;AKOS000275577;2-(2-flurophenyl)-1h-benzo[d]imidazole;SMR000282004;BB 0219536;CS-0216107;EN300-33678;F15017;J-018655;Z50129852

Chemical Property of 2-(2-fluorophenyl)-1H-benzimidazole

Chemical Property:

• Melting Point: 207 °C
• Boiling Point: 397.0±44.0 °C(Predicted)
• PKA: 11.05±0.10(Predicted)
• PSA: 28.68000
• Density: 1.289±0.06 g/cm3(Predicted)
• LogP: 3.36900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.07497646
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Fluorophenyl)-1H-1,3-benzodiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)F

Technology Process of 2-(2-fluorophenyl)-1H-benzimidazole

There total 16 articles about 2-(2-fluorophenyl)-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: 94.0%

N'-(2-bromophenyl)-2-fluorobenzimidamide → 2-(2-fluorophenyl)-1H-benzo[d]imidazole (321-51-7)

Guidance literature:

With copper(l) iodide; 4-phenyl-1-(3-O-benzyl-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranos-6-yl)-1H-1,2,3-triazole; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 15h; Inert atmosphere; Sealed tube;

DOI:10.1021/acscombsci.9b00004

Reference yield: 92.0%

2-Fluorobenzaldehyde (446-52-6) + 1,2-diamino-benzene (95-54-5) → 2-(2-fluorophenyl)-1H-benzo[d]imidazole (321-51-7)

Guidance literature:

With sodium hydrogensulfite; In water; at 100 ℃; for 0.166667h; chemoselective reaction; Green chemistry;

DOI:10.1007/s11696-017-0367-5

Reference yield: 92.0%

→ 2-(2-fluorophenyl)-1H-benzo[d]imidazole (321-51-7)

Guidance literature:

With caesium carbonate; In water; at 50 ℃; for 0.166667h; Microwave irradiation;

upstream raw materials:

1,2-diamino-benzene

o-fluoro-benzoic acid

2-Fluorobenzaldehyde

2-nitro-aniline

Downstream raw materials:

6-phenylbenzimidazolo<1,2-c>quinazoline