1,1,1,5,5,5-六甲基-3-(三甲基硅烷基)-3-三硅氧烷基 | 139347-50-5

• 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
• 中文名称: 1,1,1,5,5,5-六甲基-3-(三甲基硅烷基)-3-三硅氧烷基
• 中文别名: N-硝酸根叔戊酰-S-(N'-乙酰基丙氨酰)-半胱氨酸乙基酯
• 英文名称: 1,1,1,5,5,5-hexamethyl-3-(trimethylsilyl)trisiloxane
• 英文别名: Bis(trimethylsiloxy)(trimethylsilyl)silane；trimethyl-[trimethylsilyl(trimethylsilyloxy)silyl]oxysilane
• CAS: 139347-50-5
• 化学式: C₉H₂₈O₂Si₄
• 分子量: 280.662
• InChiKey: PLFZASMKXQOBLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  三(三甲基硅基)硅烷 在 氧气 作用下， 以 neat (no solvent) 为溶剂， 反应 1.0h， 生成 1,1,1,5,5,5-六甲基-3-(三甲基硅烷基)-3-三硅氧烷基
  参考文献：
  名称：

  Autoxidation of tris(trimethylsilyl)silane

  摘要：

  Tris(trimethylsilyl)silane reacts spontaneously at ambient temperature with molecular oxygen to form (Me3SiO)2Si(H)SiMe3 in high yield. The reaction proceeds via a free-radical chain mechanism and probably involves three consecutive unimolecular processes which are unknown in the literature.

  DOI：

  10.1021/jo00034a001

文献信息

• Photolysis of tris(trimethylsilyl)silane: trapping of sisyl radicals
  作者：Mustafa Mohamed、Michael A Brook

  DOI：10.1139/v00-085

  日期：2000.11.1

  The photolysis of tris(trimethylsilyl)silane (TTMSS) was studied in the absence and in the presence of added trapping agents such as alkenes and alcohols. It was found that, unlike the case with pyrolysis, silyl radicals rather than silylenes are produced. They may be efficiently trapped with alkenes, to give the hydrosilylation products, but not with alcohols. The major product from the photolysis

  在不存在和存在添加的捕集剂（如烯烃和醇）的情况下研究了三（三甲基甲硅烷基）硅烷 (TTMSS) 的光解。发现与热解的情况不同，产生的是甲硅烷基自由基而不是甲硅烷基。它们可以被烯烃有效地捕获，得到氢化硅烷化产物，但不能被醇捕获。在不添加捕集剂（或使用醇作为捕集剂）的情况下，TTMSS 光解的主要产物是四（三甲基甲硅烷基）硅烷。介绍了解释光产物的可能机制。关键词：氢硅烷，光解，亚甲硅烷，甲硅烷基自由基，甲硅烷基氢化物。
• A mechanistic investigation of (Me3Si)3SiH oxidation
  作者：Andriy B. Zaborovskiy、Daria S. Lutsyk、Ruslan E. Prystansky、Vladimir I. Kopylets、Vitaliy I. Timokhin、Chryssostomos Chatgilialoglu

  DOI：10.1016/j.jorganchem.2004.06.030

  日期：2004.9

  The interaction of (Me3Si)(3)SiH with O-2 is known to afford (Me3SiO)(2)Si(H)SiMe3 in which the two oxygen atoms arise from the same oxygen molecule. In order to investigate the mechanism of this unusual reaction, the oxidation rates were measured in the temperature range 30-70degreesC by following oxygen uptake in the presence and absence of hydroquinone as inhibitor. The rate constant for the spontaneous reaction of (Me3Si)(3)SiH with O-2 was determined at 70degreesC to be similar to3.5x 10(-5) M-1 s(-1). A sequence of the propagation steps is proposed by combining the previous and present experimental findings with some theoretical results obtained at the serniempirical level. These calculations showed that the silylperoxyl radical (Me3Si)(3)SiOO. undergoes three consecutive unimolecular steps to give (Me3SiO)(2)Si((.))SiMe3. Evidence has been obtained that the rate determining step is the rearrangement of silylperoxyl radical to a dioxirane-like pentacoordinated silyl radical. Our findings are of considerable importance for the understanding of the oxidation of hydrogen-terminated silicon surfaces. (C) 2004 Elsevier B.V. All rights reserved.