3-(T-BUTYLDIMETHYLSILOXY)IODOBENZENE

The Benzene,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-iodo-, with the CAS registry number of 133910-12-0, is also known as 3-(t-Butyl dimethylsiloxy) iodobenzene. Its molecular formula is C₁₂H₁₉IOSi and molecular weight is 334.27. What's more, its IUPAC name is tert-Butyl-(3-iodophenoxy)-dimethylsilane.

Physical properties about the Benzene,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3-iodo- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.17; (6)ACD/BCF (pH 7.4): 13.17; (7)ACD/KOC (pH 5.5): 220.32; (8)ACD/KOC (pH 7.4): 220.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 77.68 cm³; (15)Molar Volume: 253.8 cm³; (16)Surface Tension: 29.7 dyne/cm; (17)Density: 1.316 g/cm³; (18)Flash Point: 127.3 °C; (19)Enthalpy of Vaporization: 50.49 kJ/mol; (20)Boiling Point: 286.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00443 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of tert-Butyl-chloro-dimethyl-silane with 3-Iodo-phenol. The reaction needs reagent Imidazole and solvent Dimethylformamide. The reaction time is 12 h. The yield is about 94 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 3-Iodo-phenol. This reaction needs reagent KF-Al₂O₃. Meanwhile, it needs solvent Acetonitrile. The reaction time is 10 min. The yield is about 55 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc(O[Si](C)(C(C)(C)C)C)c1
(2) InChI: InChI=1/C12H19IOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3
(3) InChIKey: AVZDGFRDSOPFCR-UHFFFAOYAE