2,3,6,7,10,11-Hexamethoxytriphenylene

The 2,3,6,7,10,11-Hexamethoxytriphenylene with CAS registry number of 808-57-1 is also known as 2,3,6,7,10,11-Hexakis(methoxy)triphenylene. The systematic name is 2,3,6,7,10,11-Hexamethoxytriphenylene. It belongs to product categories of Building Blocks for Discotic Liquid Crystals; Building Blocks for Liquid Crystals; Functional Materials; Discotic; Liquid Crystals; Organic Electronics and Photonics. In addition, the formula is C₂₄H₂₄O₆ and the molecular weight is 408.44.

Physical properties about 2,3,6,7,10,11-Hexamethoxytriphenylene are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.12; (4)ACD/LogD (pH 7.4): 5.12; (5)ACD/BCF (pH 5.5): 4596.26; (6)ACD/BCF (pH 7.4): 4596.26; (7)ACD/KOC (pH 5.5): 14559.36; (8)ACD/KOC (pH 7.4): 14559.36; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 119.85 cm³; (14)Molar Volume: 335.7 cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.216 g/cm³; (17)Flash Point: 235.8 °C; (18)Enthalpy of Vaporization: 83.38 kJ/mol; (19)Boiling Point: 578.6 °C at 760 mmHg; (20)Vapour Pressure: 8.81E-13 mmHg at 25 °C.

Preparation of 2,3,6,7,10,11-Hexamethoxytriphenylene: it is prepared by reaction of 1,2-dimethoxy-benzene. The reaction needs reagent FeCl₃/Al₂O₃ for 12 hours. The yield is about 89%.

Uses of 2,3,6,7,10,11-Hexamethoxytriphenylene: it is used to produce 2,3,6,7,10,11-hexahydroxytriphenylene. The reaction occurs with reagent 47percent aq. HBr, AcOH and other condition of heating for 24 hours. The yield is about 75%.

You can still convert the following datas into molecular structure:
1. SMILES: O(c3cc2c4cc(OC)c(OC)cc4c1cc(OC)c(OC)cc1c2cc3OC)C
2. InChI: InChI=1/C24H24O6/c1-25-19-7-13-14(8-20(19)26-2)16-10-22(28-4)24(30-6)12-18(16)17-11-23(29-5)21(27-3)9-15(13)17/h7-12H,1-6H3
3.InChIKey: TXROZCSFVVIBFI-UHFFFAOYAQ