1-(triisopropylsilyl)pyrrole (87630-35-1)

The 1-(Triisopropylsilyl)pyrrole with the cas number 87630-35-1 is also called 1H-Pyrrole,1-[tris(1-methylethyl)silyl]-. The IUPAC name is tri(propan-2-yl)-pyrrol-1-ylsilane. Its molecular formula is C₁₃H₂₅NSi. This chemical belongs to the following product categories: (1)Pyrrole&Pyrrolidine&Pyrroline; (2)Functional Materials; (3)Pyrroles (for Conduting Polymer Research); (4)Reagents for Conducting Polymer Research; (5)Si (Classes of Silicon Compounds); (6)Si-N Compounds; (7)Trimethylsilylazide, etc.; (8)Building Blocks; (9)Heterocyclic Building Blocks; (10)Pyrroles.

The properties of the chemical are: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.1; (4)ACD/LogD (pH 7.4): 5.1; (5)ACD/BCF (pH 5.5): 4389.82; (6)ACD/BCF (pH 7.4): 4389.82; (7)ACD/KOC (pH 5.5): 14088.22; (8)ACD/KOC (pH 7.4): 14088.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 71.89 cm³; (15)Molar Volume: 258.1 cm³; (16)Polarizability: 28.5×10^-24cm³; (17)Surface Tension: 22.8 dyne/cm; (18)Enthalpy of Vaporization: 50.97 kJ/mol; (19)Vapour Pressure: 0.00643 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of pyrrole and chloro-triisopropyl-silane. This reaction needs reagent NaH.

Uses: This chemical can react with dichloromethyl-dimethyl-amine to prepare N,N-dimethylpyrrole-3-formiminium chloride. This reaction needs reagent CH₂Cl₂ at heating condition. The reaction time is 0.5 hours. The yield is 97%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccn1[Si](C(C)C)(C(C)C)C(C)C
(2)InChI: InChI=1/C13H25NSi/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-13H,1-6H3
(3)InChIKey: FBQURXLBJJNDBX-UHFFFAOYAX