4-BROMO-1-TRITYL-1H-IMIDAZOLE Chemical Properties

Melting point:

248-250 °C(Solv: ethanol (64-17-5))

Boiling point:

492.5±40.0 °C(Predicted)

Density 

1.27±0.1 g/cm3(Predicted)

storage temp. 

Storage temp. 2-8°C

pka

3.60±0.61(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

InChIKey

BSQFJBYJUQJNMZ-UHFFFAOYSA-N

SMILES

C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(Br)N=1

CAS DataBase Reference

87941-55-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Hazard Note 

Irritant

HS Code 

2933299090

4-BROMO-1-TRITYL-1H-IMIDAZOLE Usage And Synthesis

Synthesis

To a 250 mL single neck flask was added 4-bromo-1H-imidazole (30 g, 205 mmol) and a solvent mixture of dichloromethane:tetrahydrofuran (1:1, v/v) with stirring at room temperature. Subsequently, triphenylchloromethane (62 g, 226 mmol) and triethylamine (29 mL) were slowly added. The reaction mixture was continued to be stirred at room temperature for 1 hour. Upon completion of the reaction, it was quenched by the addition of water and 1 N hydrochloric acid. The reaction mixture was extracted with dichloromethane, the organic layers were combined and dried with anhydrous sodium sulfate. Finally, the dichloromethane was removed by rotary evaporator to afford the target compound 4-bromo-1-trityl-1H-imidazole (61 g, 72% yield).

References

[1] Journal of Medicinal Chemistry, 2010, vol. 53, # 4, p. 1712 - 1725
[2] Patent: CN106256830, 2016, A. Location in patent: Paragraph 0044; 0045; 0055; 0056; 0057

4-BROMO-1-TRITYL-1H-IMIDAZOLE(87941-55-7)Related Product Information

• 2-BROMO-1-TRITYL-1H-IMIDAZOLE
• 2,4-DIBROMO-1-TRITYL-1H-IMIDAZOLE
• 4,5-DIBROMO-1-TRIPHENYLMETHYL-1H-IMIDAZOLE
• 1-BENZYL-4-BROMOIMIDAZOLE
• 4-Bromo-1H-imidazole
• 1-BENZHYDRYL-1H-IMIDAZOLE
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• 4-BROMO-1-METHYL-1H-IMIDAZOLE
• 4-BROMO-1-TRITYL-1H-IMIDAZOLE