1-Bromo-2,6-dimethoxybenzene

The Benzene, 2-bromo-1, 3-dimethoxy-, with the CAS registry number 16932-45-9, is also known as 1-Bromo-2, 6-dimethoxybenzene. This chemical's molecular formula is C₈H₉BrO₂ and molecular weight is 217.06. What's more, its systematic name is 2-Bromo-1, 3-dimethoxybenzene.

Physical properties about Benzene, 2-bromo-1, 3-dimethoxy- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.02; (6)ACD/BCF (pH 7.4): 33.02; (7)ACD/KOC (pH 5.5): 425.35; (8)ACD/KOC (pH 7.4): 425.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 47.3 cm³; (15)Molar Volume: 153.6 cm³; (16)Polarizability: 18.75×10^-24 cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 46.75 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 mmHg at 25 °C.

Preparation of Benzene, 2-bromo-1, 3-dimethoxy-: this chemical is prepared by Bis-(2, 6-dimethoxy-phenyl)-dimethyl-silane at ambient temperature. The reaction needs reagent N-bromosuccinimide and solvent Acetone. The yield is about 64 %.

Uses of Benzene, 2-bromo-1, 3-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 1-(2, 6-Dimethoxy-phenyl)-1H-indole-2-carboxylic acid ethyl ester by heating. This reaction needs reagents K₂CO₃, Cu₂Br₂, Pyridine. Meanwhile, it needs solvent Nitrobenzene. The reaction time is 18 hours. The yield is about 33 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(OC)cccc1OC
(2) InChI: InChI=1/C8H9BrO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
(3) InChIKey: VHVYSMMZHORFKU-UHFFFAOYAG