氯-(3-氯丙基)-己基-丙基硅烷 | 917970-46-8

• 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
• 中文名称: 氯-(3-氯丙基)-己基-丙基硅烷
• 英文名称: chloro(γ-chloropropyl)(hexyl)(propyl)silane
• 英文别名: Chloro(3-chloropropyl)hexyl(propyl)silane；chloro-(3-chloropropyl)-hexyl-propylsilane
• CAS: 917970-46-8
• 化学式: C₁₂H₂₆Cl₂Si
• 分子量: 269.33
• InChiKey: KNKJICDMPZWNFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.79
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• 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：

  三叔丁基硅烷 、 3-氯丙烯 在 Spaier's catalyst 作用下， 反应 24.0h， 以1%的产率得到dichloro(hexyl)(propyl)silane
  参考文献：
  名称：

  Reaction of hexylsilane with N-substituted allylamine and allyl chloride

  摘要：

  Reactions of allyldiethylamine and allylbis(trimethylsilyl)amine with hexylsilane are studied. The former reaction involves hydrogen evolution and Si-Si bond formation. The contribution of hydrosilylation is insignificant. Substituent exchange between the nitrogen and silicon atoms in the silane is found. In the reaction with allylbis(trimethylsilyl)amine, no evolution of hydrogen is observed, and hydrosilylation takes place. With allyl chloride, hydrosylilation, reduction, and Si-Si bond formation are observed. Quantum-chemical calculations for the reactions with diethylallylamine and allylbis(trimethylsilyl)amine were carried out at the PM3, B3LYP/6-31G**, and B3LYP/LanL2DZ levels to show that these reactions all are thermodynamically allowed, and the difference in the behavior of the amines is explained by kinetic and conformational factors.

  DOI：

  10.1134/s1070363206040086

文献信息

• Reaction of hexylsilane with N-substituted allylamine and allyl chloride
  作者：Z. V. Belyakova、P. A. Strozhenko、E. A. Chernyshev、S. P. Knyazev、O. G. Shutova、T. V. Shcherbakova

  DOI：10.1134/s1070363206040086

  日期：2006.4

  Reactions of allyldiethylamine and allylbis(trimethylsilyl)amine with hexylsilane are studied. The former reaction involves hydrogen evolution and Si-Si bond formation. The contribution of hydrosilylation is insignificant. Substituent exchange between the nitrogen and silicon atoms in the silane is found. In the reaction with allylbis(trimethylsilyl)amine, no evolution of hydrogen is observed, and hydrosilylation takes place. With allyl chloride, hydrosylilation, reduction, and Si-Si bond formation are observed. Quantum-chemical calculations for the reactions with diethylallylamine and allylbis(trimethylsilyl)amine were carried out at the PM3, B3LYP/6-31G**, and B3LYP/LanL2DZ levels to show that these reactions all are thermodynamically allowed, and the difference in the behavior of the amines is explained by kinetic and conformational factors.