Trimethyl-[1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]germylidene-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane | 870538-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Trimethyl-[1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]germylidene-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane
• 英文别名: trimethyl-[1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]germylidene-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane
• CAS: 870538-01-5
• 化学式: C₃₂H₈₀GeSi₁₀
• 分子量: 818.432
• InChiKey: MCCMNFAGCGZPGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.24
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Trimethyl-[1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]germylidene-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane 在 四氯化碳 作用下， 以 苯 为溶剂， 反应 0.5h， 以87%的产率得到硅杂环戊烷,1,1-二氯-2,2,5,5-四(三甲基甲硅烷基)-
  参考文献：
  名称：

  Reactions of trisilaallene and 2-germadisilaallene with various reagents

  摘要：

  A number of the distinctive reactions of trisilaallene 1 and 2-germadisilaallene 4 with various reagents including water, alcohols, acetone, and haloalkanes were studied. The addition reactions of 1 to water and alcohols occur in a regiospecific manner to afford 1,3-dioxytrisilanes in high yields. The additions are explained by a stepwise mechanism involving the initial nucleophilic attack of a hydroxy oxygen to a terminal allenic silicon to give an intermediate unsymmetric disilene. The regiospecificity is rationalized by the shape of the frontier molecular orbitals and the NPA charge distribution of trisilaallene 1 and the intermediate disilene. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.05.063
• 作为产物：
  描述：

  germanium(II) chloride dioxane 、 1,1,4,4-tetrakis(trimethylsilyl)butane-1,4-diylsilylene 在 KC₈ 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到Trimethyl-[1-[2,2,5,5-tetrakis(trimethylsilyl)silolan-1-ylidene]germylidene-2,5,5-tris(trimethylsilyl)silolan-2-yl]silane
  参考文献：
  名称：

  三硅丙二烯和相关重艾伦烯中的异常键合

  摘要：

  丙二烯（重丙二烯）[R(2)M=M'=MR(2); 重14族元素同系物之间的合成、X射线和光谱分析以及不寻常的键合和结构；M = M' = Si (1a), M = Si, M' = Ge (1b), M = Ge, M' = Si (1c), and M = M' = Ge (1d)] 进行了比较讨论。使用 DFT 计算和 PMO 理论，重丙二烯的弯曲和流动骨架的起源归因于与有效 pi-sigma* 混合（pi-sigma* 失真）相关的 Jahn-Teller 失真。这种类型的扭曲被认为是定性描述重主族元素的不饱和化合物的不寻常键合的关键概念。

  DOI：

  10.1021/ja904525a

文献信息

• A missing allene of heavy Group 14 elements: 2-germadisilaallene
  作者：Takeaki Iwamoto、Takashi Abe、Chizuko Kabuto、Mitsuo Kira

  DOI：10.1039/b509878e

  日期：——

  The first stable 2-germadisilaallene was synthesized by the reduction of a 2 ∶ 1 mixture of a stable dialkylsilylene and dichlorogermylene–dioxane complex with KC8; the 2-germadisilaallene showed dynamic disorder similar to the corresponding trisilaallene in the solid state.

  第一个稳定的 2-germadisilaallene 通过稳定的二烷基亚甲硅基和二氯甲锗烷-二恶烷络合物的 2:1 混合物与 KC8 还原合成； 2-germadisilaallene表现出与固态下相应的trisilaallene类似的动态无序。
• Reactions of trisilaallene and 2-germadisilaallene with various reagents
  作者：Takeaki Iwamoto、Takashi Abe、Shintaro Ishida、Chizuko Kabuto、Mitsuo Kira

  DOI：10.1016/j.jorganchem.2006.05.063

  日期：2007.1

  A number of the distinctive reactions of trisilaallene 1 and 2-germadisilaallene 4 with various reagents including water, alcohols, acetone, and haloalkanes were studied. The addition reactions of 1 to water and alcohols occur in a regiospecific manner to afford 1,3-dioxytrisilanes in high yields. The additions are explained by a stepwise mechanism involving the initial nucleophilic attack of a hydroxy oxygen to a terminal allenic silicon to give an intermediate unsymmetric disilene. The regiospecificity is rationalized by the shape of the frontier molecular orbitals and the NPA charge distribution of trisilaallene 1 and the intermediate disilene. (c) 2006 Elsevier B.V. All rights reserved.
• Unusual Bonding in Trisilaallene and Related Heavy Allenes
  作者：Mitsuo Kira、Takeaki Iwamoto、Shintaro Ishida、Hidenori Masuda、Takashi Abe、Chizuko Kabuto

  DOI：10.1021/ja904525a

  日期：2009.12.2

  element congeners of allene (heavy allenes) [R(2)M=M'=MR(2); M = M' = Si (1a), M = Si, M' = Ge (1b), M = Ge, M' = Si (1c), and M = M' = Ge (1d)] are comparatively discussed. Using DFT calculations and PMO theory, the origin of the bent and fluxional skeleton of the heavy allenes is ascribed to the Jahn-Teller distortion associated with the effective pi-sigma* mixing (pi-sigma* distortion). This type of distortion

  丙二烯（重丙二烯）[R(2)M=M'=MR(2); 重14族元素同系物之间的合成、X射线和光谱分析以及不寻常的键合和结构；M = M' = Si (1a), M = Si, M' = Ge (1b), M = Ge, M' = Si (1c), and M = M' = Ge (1d)] 进行了比较讨论。使用 DFT 计算和 PMO 理论，重丙二烯的弯曲和流动骨架的起源归因于与有效 pi-sigma* 混合（pi-sigma* 失真）相关的 Jahn-Teller 失真。这种类型的扭曲被认为是定性描述重主族元素的不饱和化合物的不寻常键合的关键概念。