[4-Bis[tert-butyl(dimethyl)silyl]silylidene-2,2-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane | 1224468-66-9

• 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: [4-Bis[tert-butyl(dimethyl)silyl]silylidene-2,2-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane
• 英文别名: [4-bis[tert-butyl(dimethyl)silyl]silylidene-2,2-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane
• CAS: 1224468-66-9
• 化学式: C₂₆H₇₂Si₁₁
• 分子量: 693.798
• InChiKey: JNDSMWXSMWVYCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.83
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  1.0
• 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：

  [4-Bis[tert-butyl(dimethyl)silyl]silylidene-2,2-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane 以 氘代苯 为溶剂， 以100%的产率得到[4,5-Bis[tert-butyl(dimethyl)silyl]-2,2-dimethyl-1,3,3-tris(trimethylsilyl)pentasilol-1-yl]-trimethylsilane
  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
• 作为产物：
  描述：

  [2,2-Dibromo-4,4-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane 、 1,3-Di-tert-butyl-2,2-dichloro-1,1,3,3-tetramethyl-trisilane 在 potassium graphite 作用下， 以 四氢呋喃 为溶剂， 以46%的产率得到[4-Bis[tert-butyl(dimethyl)silyl]silylidene-2,2-dimethyl-1,3,3-tris(trimethylsilyl)tetrasiletan-1-yl]-trimethylsilane
  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.