Tritert-butyl-[2,3,6,7,8-pentakis(tritert-butylsilyl)-1,2,3,4,5,6,7,8-octasilahexacyclo[3.3.0.01,3.02,4.05,7.06,8]octan-4-yl]silane | 876068-82-5

• 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
• 英文名称: Tritert-butyl-[2,3,6,7,8-pentakis(tritert-butylsilyl)-1,2,3,4,5,6,7,8-octasilahexacyclo[3.3.0.01,3.02,4.05,7.06,8]octan-4-yl]silane
• 英文别名: tritert-butyl-[2,3,6,7,8-pentakis(tritert-butylsilyl)-1,2,3,4,5,6,7,8-octasilahexacyclo[3.3.0.01,3.02,4.05,7.06,8]octan-4-yl]silane
• CAS: 876068-82-5
• 化学式: C₇₂H₁₆₂Si₁₄
• 分子量: 1421.28
• InChiKey: YWXLIWGSAMXPJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.24
• 重原子数：
  86
• 可旋转键数：
  24
• 环数：
  8.0
• 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

• 作为产物：
  描述：

  (2,3,4-tris(tri-tert-butylsilyl)tricyclo[1.1.0.02,4]tetrasilan-1-yl)potassium 在 一氯化碘 作用下， 以 四氢呋喃 、 正庚烷 为溶剂， 反应 13.0h， 以0.165 g的产率得到Tritert-butyl-[2,3,6,7,8-pentakis(tritert-butylsilyl)-1,2,3,4,5,6,7,8-octasilahexacyclo[3.3.0.01,3.02,4.05,7.06,8]octan-4-yl]silane
  参考文献：
  名称：

  A reactive Si4 cage: K(SitBu3)3Si4

  摘要：

  KR*Si-3(4), 2, (R* = SitBu(3)), formed by the reaction of R*Si-4(4) with 2 KC8, is an orange red solid stable at r.t. but decomposes in solution into R*Si-4(4) and a compound that reacts with excess Me3SiCl to form (Me3Si)(4)R*3ClSi8. Compound 2 is very sensitive to air and moisture. Its alcoholysis does not stabilize the protonated species HR*Si-3(4) and ends up in R*3Si3H3. Compound 2 reacts with 1/2 equivalent ICl to form a violet solid R*Si-6(8). A 1:1 reaction of 2 with SiBr4 runs differently to form ditetrahedranyl, R*Si-3(4)-Si4R*(3) which is stable at r.t. but transforms into its violet isomer R*Si-6(8) at higher temperatures. Compound 2 crystallizes as R*3Si4K(18-crown-6) and its crystal structure shows a Si-4-cage with a short Si-K linkage. It opens up at higher temperatures to acquire a unique structure in which a -CH2-CH2-group detaches itself from an ether to insert into Si-Si linkage of Si-4-unit to form a bicyclic ring. The residual chain (CH2)(10)O-6 closes itself on to a Si atom to form R*Si-3(3)(CH2-CH2)Si(C10H20O6)K(18-C-6). (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.11.040

文献信息

• A reactive Si4 cage: K(SitBu3)3Si4
  作者：Thomas M. Klapötke、Sham Kumar Vasisht、Gerd Fischer、Peter Mayer

  DOI：10.1016/j.jorganchem.2009.11.040

  日期：2010.3

  KR*Si-3(4), 2, (R* = SitBu(3)), formed by the reaction of R*Si-4(4) with 2 KC8, is an orange red solid stable at r.t. but decomposes in solution into R*Si-4(4) and a compound that reacts with excess Me3SiCl to form (Me3Si)(4)R*3ClSi8. Compound 2 is very sensitive to air and moisture. Its alcoholysis does not stabilize the protonated species HR*Si-3(4) and ends up in R*3Si3H3. Compound 2 reacts with 1/2 equivalent ICl to form a violet solid R*Si-6(8). A 1:1 reaction of 2 with SiBr4 runs differently to form ditetrahedranyl, R*Si-3(4)-Si4R*(3) which is stable at r.t. but transforms into its violet isomer R*Si-6(8) at higher temperatures. Compound 2 crystallizes as R*3Si4K(18-crown-6) and its crystal structure shows a Si-4-cage with a short Si-K linkage. It opens up at higher temperatures to acquire a unique structure in which a -CH2-CH2-group detaches itself from an ether to insert into Si-Si linkage of Si-4-unit to form a bicyclic ring. The residual chain (CH2)(10)O-6 closes itself on to a Si atom to form R*Si-3(3)(CH2-CH2)Si(C10H20O6)K(18-C-6). (C) 2009 Elsevier B.V. All rights reserved.