3-(4-BROMOPHENYL)-1-PHENYL-2-PROPEN-1-ONE

The (E)-3-(4-Bromophenyl)-1-phenyl-prop-2-en-1-one, with the CAS registry number of 1774-66-9, is also known as 4-Bromochalcone. This chemical's molecular formula is C₁₅H₁₁BrO and molecular weight is 287.15. What's more, its its systematic name is (2E)-3-(4-Bromophenyl)-1-phenylprop-2-en-1-one.

Physical properties about (E)-3-(4-Bromophenyl)-1-phenyl-prop-2-en-1-one are: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 74.79 cm³; (9)Molar Volume: 206 cm³; (10)Polarizability: 29.65×10^-24 cm³; (11)Surface Tension: 47.7 dyne/cm; (12)Density: 1.393 g/cm³; (13)Flash Point: 79.6 °C; (14)Enthalpy of Vaporization: 64.89 kJ/mol; (15)Boiling Point: 398.3 °C at 760 mmHg; (16)Vapour Pressure: 1.49E-06 mmHg at 25 °C.

Preparation of (E)-3-(4-Bromophenyl)-1-phenyl-prop-2-en-1-one: this chemical is prepared by reaction of 4-Bromo-benzaldehyde with 2-Bromo-1-phenyl-ethanone by heating. This reaction needs reagent Dibutyl telluride and solvent Tetrahydrofuran. The reaction time is 6 hours. The yield is about 86 %.

Uses of (E)-3-(4-Bromophenyl)-1-phenyl-prop-2-en-1-one: it is used to produce other chemicals. For example, it is used to produce 3-(4-Bromo-phenyl)-3-methoxyamino-1-phenyl-propan-1-one. The reaction needs solvent Ethanol. The reaction time is 3 hours with reaction temperature of 70 °C. The yield is about 72.1 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(/C=C/C(=O)c1ccccc1)cc2
(2) InChI: InChI=1/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
(3) InChIKey: JFARWEWTPMAQHW-DHZHZOJOBS