| 1192797-11-7

• 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
• CAS: 1192797-11-7
• 化学式: C₂₇H₄₀O₂Si
• 分子量: 424.699
• InChiKey: QKUWXTZDEJOZFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.08
• 重原子数：
  30.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  21.76
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 二氯二茂钛 、 γ-松油烯 、 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以78%的产率得到11-(tert-butyldiphenylsilyloxy)-1-undecene
  参考文献：
  名称：

  Catalysis via Homolytic Substitutions with C−O and Ti−O Bonds: Oxidative Additions and Reductive Eliminations in Single Electron Steps

  摘要：

  In a combined theoretical and experimental study, an efficient catalytic reaction featuring epoxide opening and tetrahydrofuran formation through homolytic substitution reactions at C-O and Ti-O bonds was devised. The performance of these two key steps of the catalytic cycle was studied and could be adjusted by modifying the electronic properties of the catalysts through introduction of electron-donating or -withdrawing substituents to the titanocene catalysts. By regarding both steps as single electron versions of oxidative addition and reductive elimination, a mechanism-based platform for the design of catalysts and reagents-for electron transfer reactions evolved that opens broad perspectives for further investigations.

  DOI：

  10.1021/ja907817y
• 作为产物：
  描述：

  11-(tert-butyldiphenylsilyloxy)-1-undecene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 以98%的产率得到
  参考文献：
  名称：

  Catalysis via Homolytic Substitutions with C−O and Ti−O Bonds: Oxidative Additions and Reductive Eliminations in Single Electron Steps

  摘要：

  In a combined theoretical and experimental study, an efficient catalytic reaction featuring epoxide opening and tetrahydrofuran formation through homolytic substitution reactions at C-O and Ti-O bonds was devised. The performance of these two key steps of the catalytic cycle was studied and could be adjusted by modifying the electronic properties of the catalysts through introduction of electron-donating or -withdrawing substituents to the titanocene catalysts. By regarding both steps as single electron versions of oxidative addition and reductive elimination, a mechanism-based platform for the design of catalysts and reagents-for electron transfer reactions evolved that opens broad perspectives for further investigations.

  DOI：

  10.1021/ja907817y