4-(TRIMETHYLSILYL)-1H-INDOLE 98

The 1H-Indole,4-(trimethylsilyl)-, with the CAS registry number 82645-11-2, has the systematic name and IUPAC name of 4-(trimethylsilyl)-1H-indole. It belongs to the following product categories: Blocks; Indoles Oxindoles; Indole. And the molecular formula of the chemical is C₁₁H₁₅NSi.

The characteristics of 1H-Indole,4-(trimethylsilyl)- are as followings: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)ACD/BCF (pH 5.5): 1993.23; (6)ACD/BCF (pH 7.4): 1993.24; (7)ACD/KOC (pH 5.5): 8006.08; (8)ACD/KOC (pH 7.4): 8006.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 60.87 cm³; (15)Molar Volume: 188.6 cm³; (16)Polarizability: 24.13×10^-24cm³; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1 g/cm³; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 51.66 kJ/mol; (21)Boiling Point: 298.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00228 mmHg at 25°C.  

Uses of cis-2-Phenyl-1,3-dioxan-5-ol: It can react with 3-ethoxy-2-nitro-acrylic acid methyl ester to produce 2-nitro-3-(4-trimethylsilanyl-1H-indol-3-yl)-acrylic acid methyl ester. The reaction time is 24 hours with ambient temperature, and the yield is about 43%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c12cccc(c1ccn2)[Si](C)(C)C
(2)InChI: InChI=1/C11H15NSi/c1-13(2,3)11-6-4-5-10-9(11)7-8-12-10/h4-8,12H,1-3H3
(3)InChIKey: COFOETMEXFECLE-UHFFFAOYAE