(4-Bromophenoxy)-tert-butyldimethylsilane

The Benzene,1-bromo-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, with the CAS registry number 67963-68-2, is also known as 4-(tert-Butyldimethylsilyloxy)phenyl bromide. It belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Protected Alcohols/Phenols. This chemical's molecular formula is C₁₂H₁₉BrOSi and formula weight is 287.27. What's more, its systematic name is (4-bromophenoxy)(tert-butyl)dimethylsilane.

Physical properties of Benzene,1-bromo-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/BCF (pH 5.5): 10.01; (5)ACD/KOC (pH 5.5): 180.99; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.496; (11)Molar Refractivity: 72.46 cm³; (12)Molar Volume: 247.9 cm³; (13)Surface Tension: 27.4 dyne/cm; (14)Density: 1.158 g/cm³; (15)Flash Point: 113.5 °C; (16)Enthalpy of Vaporization: 48.16 kJ/mol; (17)Boiling Point: 264 °C at 760 mmHg; (18)Vapour Pressure: 0.0163 mmHg at 25°C.

Preparation: this chemical can be prepared by t-butyldimethylsilyl trichloroacetate, 4-bromo-phenol at the temperature of 150°C. This reaction will need reagent potassium carbonate, 18-crown-6 with the reaction time of 3 hours. The yield is about 98%.

Uses of Benzene,1-bromo-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-: it can be used to produce 4-bromo-phenol at the temperature of 25°C. It will need reagent KF, Al₂O₃ and solvent 1,2-dimethoxy-ethane with the reaction time of 4 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(O[Si](C(C)(C)C)(C)C)cc1
(2)InChI: InChI=1S/C12H19BrOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,1-5H3
(3)InChIKey: DLGZGLKSNRKLSM-UHFFFAOYSA-N