3-BROMO-1-(TRIISOPROPYLSILYL)INDOLE

The 1H-Indole,3-bromo-1-[tris(1-methylethyl)silyl]-, with the CAS registry number 148249-36-9, is also known as 3-Bromo-1-(triisopropylsilyl)-1H-indole. It belongs to the product categories of Indole; Organohalides; Indoles; Si (Classes of Silicon Compounds); Simple Indoles; Si-N Compounds; Trimethylsilylazide, etc. This chemical's molecular formula is C₁₇H₂₆BrNSi and molecular weight is 352.38. Its systematic name is called (3-bromoindol-1-yl)-triisopropyl-silane. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.

Physical properties of 1H-Indole,3-bromo-1-[tris(1-methylethyl)silyl]-: (1)ACD/LogP: 6.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 210923; (6)ACD/BCF (pH 7.4): 210923; (7)ACD/KOC (pH 5.5): 225208; (8)ACD/KOC (pH 7.4): 225208; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 95.336 cm³; (13)Molar Volume: 306.592 cm³; (14)Surface Tension: 28.383 dyne/cm; (15)Density: 1.149 g/cm³; (16)Flash Point: 154.452 °C; (17)Enthalpy of Vaporization: 57.448 kJ/mol; (18)Boiling Point: 331.775 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-triisopropylsilanyl-1H-indole. This reaction will need reagent NBS and solvent tetrahydrofuran. The reaction temperature is -10 - 20 °C. The yield is about 63.9%.

Uses of 1H-Indole,3-bromo-1-[tris(1-methylethyl)silyl]-: it can be used to produce 3-thiazol-2-yl-1H-indole at temperature of 20 °C. This reaction is a kind of Suzuki-Miyaura coupling. It will need reagents tBuLi, B(OiPr)₃, LiOH, aq. Na₂CO₃, Pd(PPh₃)₄ and solvent tetrahydrofuran. The yield is about 31%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(c2c1cccc2)Br
(2)InChI: InChI=1/C17H26BrNSi/c1-12(2)20(13(3)4,14(5)6)19-11-16(18)15-9-7-8-10-17(15)19/h7-14H,1-6H3
(3)InChIKey: VELAHBNAGHGPNP-UHFFFAOYAI