1-(4-BROMOPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE

The Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-, with the CAS registry number 24155-30-4, is also known as Acetophenone,4'-bromo-2-imidazol-1-yl- (8CI). It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₁H₉BrN₂O and molecular weight is 265.11. What's more, its IUPAC name and systematic name are the same which is called 1-(4-bromophenyl)-2-imidazol-1-ylethanone.

Physical properties about Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 65; (8)ACD/KOC (pH 7.4): 291; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 63.559 cm³; (15)Molar Volume: 178.004 cm³; (16)Surface Tension: 49.67 dyne/cm; (17)Density: 1.489 g/cm³; (18)Flash Point: 232.835 °C; (19)Enthalpy of Vaporization: 72.223 kJ/mol; (20)Boiling Point: 461.38 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: it can be obtained by 2-Bromo-1-(4-bromo-phenyl)-ethanone and 1H-imidazole. The reaction occurs with solvent dimethylformamide at temperature of 5 - 25°C. The yield is 11%.

Uses of Ethanone,1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-: it is used to produce other chemicals. For example, it can react with 1H-Imidazole and Trimethyl-oxo-λ⁴-sulfanium; iodide to get 2-(4-Bromo-phenyl)-1,3-di-imidazol-1-yl-propan-2-ol. The reaction occurs with reagents KOH, 2-methyl-propan-2-ol and other condition of heating for 18 hours. The yield is 85%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cn1ccnc1)c2ccc(Br)cc2
(2) InChI: InChI=1/C11H9BrN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
(3) InChIKey: YTZCOVPVCBETSO-UHFFFAOYAO