1,4-DIBENZOYLBENZENE

The Methanone,1,1'-(1,4-phenylene)bis[1-phenyl-, with the CAS registry number 3016-97-5 and EINECS registry number 221-155-2, has the systematic name of benzene-1,4-diylbis(phenylmethanone). It belongs to the following product categories: C15 to C38; Carbonyl Compounds; Ketones. And the molecular formula of the chemical is C₂₀H₁₄O₂.

The characteristics of Methanone,1,1'-(1,4-phenylene)bis[1-phenyl- are as followings: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 4.57; (5)ACD/BCF (pH 5.5): 1752.84; (6)ACD/BCF (pH 7.4): 1752.84; (7)ACD/KOC (pH 5.5): 7302.43; (8)ACD/KOC (pH 7.4): 7302.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 85.83 cm³; (15)Molar Volume: 245.6 cm³; (16)Polarizability: 34.02×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 170.2 °C; (20)Enthalpy of Vaporization: 71.72 kJ/mol; (21)Boiling Point: 457.2 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-08 mmHg at 25°C.

Preparation of Methanone,1,1'-(1,4-phenylene)bis[1-phenyl-: This chemical can be prepared by terephthaloyl dichloride and trimethyl-phenyl-stannane. The reaction will need reagent bis(p-allylpalladium chloride), and the menstruum hexamethylphosphoric acid triamide. The reaction time is 1 minute with temperature of 20°C, and the yield is about 77%. 

Uses of Methanone,1,1'-(1,4-phenylene)bis[1-phenyl-: It can react with phenylmagnesium bromide to produce 1,4-bis-(a-hydroxy-benzhydryl)-benzene. This reaction will need menstruum diethyl ether. The reaction time is 2 hour with heating, and the yield is about 85%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccc1)c3ccc(C(=O)c2ccccc2)cc3
(2)InChI: InChI=1/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H
(3)InChIKey: NPENBPVOAXERED-UHFFFAOYAA