2,2',4,4',6,6'-Hexamethylbenzophenone

The 2,2',4,4',6,6'-Hexamethylbenzophenone, with cas registry number 5623-45-0, has the systematic name of bis(2,4,6-trimethylphenyl)methanone. And its IUPAC name is the same one. Besides this, it is also called methanone, bis(2,4,6-trimethylphenyl)-. What's more, its EINECS is 227-052-9.

Physical properties about this chemical are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19264.16; (6)ACD/BCF (pH 7.4): 19264.16; (7)ACD/KOC (pH 5.5): 40607.86; (8)ACD/KOC (pH 7.4): 40607.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 84.99 cm³; (15)Molar Volume: 265.1 cm³; (16)Polarizability: 33.69×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Enthalpy of Vaporization: 58.42 kJ/mol; (19)Vapour Pressure: 8.48E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,4,6,2',4',6'-Hexamethyl-benzhydrol. This reaction will need reagent N-t-butylbenzenesulfinimidoyl chloride, DBU and solvent CH₂Cl₂. The reaction time is 1 hour(s) with reaction temperature of -78 - 0 ℃. The yield is about 92%.

Uses of 2,2',4,4',6,6'-Hexamethylbenzophenone: it can be used to produce dimesityl-methane. This reaction will need reagent 4TiCl₃-LiAlH₄ (McMurry reagent)  and solvent tetrahydrofuran. The reaction time is 8 hour(s). The yield is about 57%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(cc(cc1C)C)C)c2c(cc(cc2C)C)C
(2)InChI: InChI=1/C19H22O/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
(3)InChIKey: SKMUIZHHMAPKIV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C19H22O/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
(5)Std. InChIKey: SKMUIZHHMAPKIV-UHFFFAOYSA-N