Trimethyl-[1,1,2,2-tetrakis[tert-butyl(dimethyl)silyl]-5,5-dimethyl-4,4,6-tris(trimethylsilyl)-1,2,3,4,5,6-hexasilaspiro[2.3]hexan-6-yl]silane | 1224468-69-2

• 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: Trimethyl-[1,1,2,2-tetrakis[tert-butyl(dimethyl)silyl]-5,5-dimethyl-4,4,6-tris(trimethylsilyl)-1,2,3,4,5,6-hexasilaspiro[2.3]hexan-6-yl]silane
• 英文别名: trimethyl-[1,1,2,2-tetrakis[tert-butyl(dimethyl)silyl]-5,5-dimethyl-4,4,6-tris(trimethylsilyl)-1,2,3,4,5,6-hexasilaspiro[2.3]hexan-6-yl]silane
• CAS: 1224468-69-2
• 化学式: C₃₈H₁₀₂Si₁₄
• 分子量: 952.425
• InChiKey: OVHPHLRLCSPLJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.53
• 重原子数：
  52
• 可旋转键数：
  12
• 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

• 作为产物：
  描述：

  [2,2-Dibromo-4,4-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane 、 2,2-dibromo-1,3-di(tert-butyl)-1,1,3,3-tetramethyltrisilane 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到Trimethyl-[1,1,2,2-tetrakis[tert-butyl(dimethyl)silyl]-5,5-dimethyl-4,4,6-tris(trimethylsilyl)-1,2,3,4,5,6-hexasilaspiro[2.3]hexan-6-yl]silane
  参考文献：
  名称：

  Synthesis and Facile Ring Expansion of Silylenecyclotetrasilane

  摘要：

  Silylenecyclotetrasilane 4 synthesized as marginally stable orange crystals undergoes ring expansion to give cyclopentasilene 5 quantitatively with the activation parameters of Delta H(double dagger) = 24.8 +/- 1.0 kcal mol(-1) and Delta S(double dagger) = +6.5 +/- 3.2 cal mol(-1) K(-1). The activation parameters and DFT calculations support that the isomerization of 4 to 5 proceeds through stepwise double 1,2-silyl migrations.

  DOI：

  10.1021/om9010577

文献信息

• Synthesis and Facile Ring Expansion of Silylenecyclotetrasilane
  作者：Takeaki Iwamoto、Yuichi Furiya、Hideki Kobayashi、Hiroyuki Isobe、Mitsuo Kira

  DOI：10.1021/om9010577

  日期：2010.4.26

  Silylenecyclotetrasilane 4 synthesized as marginally stable orange crystals undergoes ring expansion to give cyclopentasilene 5 quantitatively with the activation parameters of Delta H(double dagger) = 24.8 +/- 1.0 kcal mol(-1) and Delta S(double dagger) = +6.5 +/- 3.2 cal mol(-1) K(-1). The activation parameters and DFT calculations support that the isomerization of 4 to 5 proceeds through stepwise double 1,2-silyl migrations.