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| | 4-BROMO-1-TRITYL-1H-IMIDAZOLE Basic information |
| | 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) |
| 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 Preparation Products And Raw materials |
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