2-(3-Fluorophenyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(3-Fluorophenyl)-1H-benzimidazole
• CAS No.: 324-15-2
• Molecular Formula: C13H9FN2
• Molecular Weight: 212.226
• DSSTox Substance ID: DTXSID90954169
• Nikkaji Number: J2.675.467D
• Wikidata: Q82933252
• Mol file: 324-15-2.mol

Synonyms:2-(3-Fluorophenyl)-1H-benzimidazole;324-15-2;2-(3-fluorophenyl)-1H-benzo[d]imidazole;1H-Benzimidazole, 2-(3-fluorophenyl)-;Bo 873;2-(3-Fluorophenyl)-1H-benz[d]imidazole;(m-Fluorophenyl)-2 benzimidazole [French];CBMicro_034471;Cambridge id 5805448;SCHEMBL4122566;(m-Fluorophenyl)-2 benzimidazole;DTXSID90954169;Benzimidazole, 2-(m-fluorophenyl)-;MFCD01564628;STK395158;2-(3-fluorophenyl)-1H-benzoimidazole;AKOS003029397;LS-32980;BIM-0034397.P001;CS-0364471;EU-0045001;F15027;Benzimidazole, 2-(m-fluorophenyl)- (7CI,8CI);SR-01000493514;SR-01000493514-1

Chemical Property of 2-(3-Fluorophenyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 1.33E-06mmHg at 25°C
• Melting Point: 258 °C
• Boiling Point: 399.8°C at 760 mmHg
• PKA: 11.21±0.10(Predicted)
• Flash Point: 195.6°C
• PSA: 28.68000
• Density: 1.289g/cm³
• 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-(3-Fluorophenyl)-1H-benzo[d]imidazole 97% ^*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=CC(=CC=C3)F

Technology Process of 2-(3-Fluorophenyl)-1H-benzimidazole

There total 18 articles about 2-(3-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: 97.0%

1-fluoro-3-(propa-1,2-dien-1-yl)benzene (70090-82-3) + 1,2-diamino-benzene (95-54-5) → 2-(3-fluorophenyl)-1H-benzo[d]imidazole (324-15-2) + 2-(3-fluorophenyl)-3-methylquinoxaline (1311471-04-1)

Guidance literature:

1-fluoro-3-(propa-1,2-dien-1-yl)benzene; With silver tetrafluoroborate; (triphenylphosphine)gold(I) chloride; sulfuric acid; water; In 1,4-dioxane; at 60 ℃; for 24h;

1,2-diamino-benzene; With oxalic acid; In ethanol; water; at 80 ℃; for 4h;

DOI:10.3762/bjoc.7.98

Reference yield: 95.0%

→ 2-(3-fluorophenyl)-1H-benzo[d]imidazole (324-15-2)

Guidance literature:

With acetic acid; at 20 ℃; for 0.166667h;

Reference yield: 93.0%

1,2-diamino-benzene (95-54-5) + 3-Fluorobenzaldehyde (456-48-4) → 2-(3-fluorophenyl)-1H-benzo[d]imidazole (324-15-2)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; at 145 ℃; for 0.116667h; Neat (no solvent); Microwave irradiation;

DOI:10.1155/2012/454213

upstream raw materials:

3-fluorobenzoic acid

1,2-diamino-benzene

3-Fluorobenzaldehyde

1-fluoro-3-(propa-1,2-dien-1-yl)benzene

Downstream raw materials:

2-(3-fluorophenyl)-1-[1-(2,3,4-trifluorophenyl)-1H-[1,2,3]-triazol-4-yl-methyl]-1H-benz[d]imidazole

C₂₂H₁₄F₃N₅

C₂₂H₁₅F₂N₅

C₂₃H₁₈FN₅O

Refernces

• 1、 Lian, Chengxi,Zhang, Chaoying,Zhao, Yingchun,Wang, Hui,Li, Xiufen,Huang, Longjiang. "Oxidative coupling of primary amines to imines catalyzed by CoCl2·6H2O". . . Retrieved 2022/01/31.
• 2、 Chen, Mei,Tang, Xuemei,Liu, Tingting,Peng, Feng,Zhou, Qing,Luo, Hui,He, Ming,Xue, Wei. "Antimicrobial evaluation of myricetin derivatives containing benzimidazole skeleton against plant pathogens". . . Retrieved 2020/12/30.