2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole Chemical Properties

Melting point:

162-166℃

Boiling point:

503.5±52.0 °C(Predicted)

Density 

1.38±0.1 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

3.75±0.10(Predicted)

form 

Powder

color 

Off-white

λmax

297nm(CH3CN)(lit.)

InChI

InChI=1S/C19H13BrN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H

InChIKey

DXRLALXPCIOIDK-UHFFFAOYSA-N

SMILES

C1(C2=CC=C(Br)C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2N=1

CAS DataBase Reference

2620-76-0

Safety Information

HS Code 

2934999090

2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole Usage And Synthesis

Uses

2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole is a useful research chemical.

Chemical Properties

White to yellow Crystal

Synthesis

General procedure for the synthesis of 1-phenyl-2-(4-bromophenyl)-1H-benzimidazole from the compound (CAS:359427-13-7): Example 1.3.2; 9; Synthesis of 2-(4-bromophenyl)-1-phenyl-1H-benzo[d]imidazole (9): amide 1 (9.6 g, 26 mmol) was suspended in anhydrous 1,4-dioxane (100 mL), and phosphorus oxychloride (POCl3) (9.2 mL, 100 mmol) was slowly added. Subsequently, the reaction mixture was heated at 100 °C overnight. After completion of the reaction, it was cooled to room temperature and the mixture was slowly poured into ice (200 g) under stirring. The precipitate was collected by filtration and recrystallized in dichloromethane (DCM)/hexane solvent mixture to give a light gray solid product (compound 9) (8.2 g, 90% yield).

References

[1] Advanced Functional Materials, 2010, vol. 20, # 3, p. 399 - 408
[2] Journal of Materials Chemistry, 2012, vol. 22, # 43, p. 23005 - 23011
[3] Journal of Materials Chemistry C, 2013, vol. 1, # 11, p. 2217 - 2223
[4] Patent: WO2011/8560, 2011, A1. Location in patent: Page/Page column 30
[5] Patent: WO2011/34967, 2011, A1. Location in patent: Page/Page column 22

2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole(2620-76-0)Related Product Information

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