1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7,9-trithiabicyclo-[3,3,1]-nonane

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7,9-trithiabicyclo-[3,3,1]-nonane
• 英文别名: 1,2,2,4,4,5,6,6,8,8-Decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane
• 化学式: C₁₀H₃₀S₃Si₆
• 分子量: 415.059
• InChiKey: WPLITLWBRIQSQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  75.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3-trichloropentamethyltrisilane 在 硫化氢 、 三乙胺 作用下， 以 正己烷 为溶剂， 生成 1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7,9-trithiabicyclo-[3,3,1]-nonane
  参考文献：
  名称：

  Formation and characterization of cyclic and polycyclic silthianes containing Si Si bonds

  摘要：

  The reactions of several organochlorosilanes and -oligosilanes with H2S and NEt3 have been investigated. Different bicyclic silthianes with bis-cyclopentyl, bicyclo-[3,3,0]-octane, bicyclo-[2,2,1]-heptane (norbornane), bicyclo-[3,2,1]-octane, bicyclo-[2,2,2]octane and bicyclo-[3,2,1]-nonane skeletons were formed and have been characterized by MS and H-1-, C-13- and Si-29-NMR. The reaction of 1,1,2,2-tetrachlorodimethyldisilane with H2S and NEt3 yields 1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexasila-2,4,6,8,10,12-hexathiatetracyclo-[5,5.0(3.11),0(5,9)]-dodecane (4c) containing three disilane units. Density functional theory calculations proved the general observation that compounds with Si3S2 five-membered rings are preferred. The crystal structures of 4c, 1,3,3,5,7,7-hexamethyl-1,3,5,7-tetrasila-2,4,6,8-tetrathiabicyclo-[3,3,0]-octane (6) and 1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7-dithiabicyclo-[3,3,0]-octane (9) have been determined. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00156-x

文献信息

• Organosilicon chalcogenides with trisilane units – bicyclo[3.3.1]nonanes, bicyclo[3.2.2]nonanes and spiro[4.4]nonanes
  作者：U Herzog、H Borrmann

  DOI：10.1016/j.jorganchem.2003.11.011

  日期：2004.2

  3-trichloropentamethyltrisilane (1) with H2S/NEt3 results in the formation of a mixture of two isomers of (Me5Si3)2S3 with a bicyclo[3.3.1]nonane (2a) and a bicyclo[3.2.2]nonane (2b) skeleton, while the reaction of 1 with Li2Se yields one product only, (Me5Si3)2Se3 (3a), with a bicyclo[3.3.1]nonane structure. Besides 1H, 13C, 29Si and 77Se NMR spectroscopy 3a has also been characterized by a crystal structure

  用H 2 S / NEt 3处理1,2,3-三氯五甲基三硅烷（1）导致（Me 5 Si 3）2 S 3的两种异构体与双环[3.3.1]壬烷（2a）形成混合物）和双环[3.2.2]壬烷（2b）骨架，而1与Li 2 Se的反应仅产生一种产物，即（Me 5 Si 3）2 Se 3（3a），带有双环[3.3.1]。壬烷结构。除了1 H，13 C，29Si和77 Se NMR光谱3a也已经通过晶体结构分析来表征。
• Formation and characterization of cyclic and polycyclic silthianes containing Si Si bonds
  作者：U. Herzog、U. Böhme、G. Roewer、G. Rheinwald、H. Lang

  DOI：10.1016/s0022-328x(00)00156-x

  日期：2000.5

  The reactions of several organochlorosilanes and -oligosilanes with H2S and NEt3 have been investigated. Different bicyclic silthianes with bis-cyclopentyl, bicyclo-[3,3,0]-octane, bicyclo-[2,2,1]-heptane (norbornane), bicyclo-[3,2,1]-octane, bicyclo-[2,2,2]octane and bicyclo-[3,2,1]-nonane skeletons were formed and have been characterized by MS and H-1-, C-13- and Si-29-NMR. The reaction of 1,1,2,2-tetrachlorodimethyldisilane with H2S and NEt3 yields 1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexasila-2,4,6,8,10,12-hexathiatetracyclo-[5,5.0(3.11),0(5,9)]-dodecane (4c) containing three disilane units. Density functional theory calculations proved the general observation that compounds with Si3S2 five-membered rings are preferred. The crystal structures of 4c, 1,3,3,5,7,7-hexamethyl-1,3,5,7-tetrasila-2,4,6,8-tetrathiabicyclo-[3,3,0]-octane (6) and 1,2,2,4,4,5,6,6,8,8-decamethyl-1,2,4,5,6,8-hexasila-3,7-dithiabicyclo-[3,3,0]-octane (9) have been determined. (C) 2000 Elsevier Science S.A. All rights reserved.