(3-ethoxy-propyl)-dichloro-methyl-silane | 124274-56-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-ethoxy-propyl)-dichloro-methyl-silane
• 英文别名: (3-Aethoxy-propyl)-dichlor-methyl-silan；Dichloro-(3-ethoxypropyl)-methylsilane
• CAS: 124274-56-2
• 化学式: C₆H₁₄Cl₂OSi
• 分子量: 201.168
• InChiKey: CCERLSISXPPBEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲基二氯硅烷 、 乙基烯丙基醚 在 Marko catalyst 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 [二氯(乙氧基)甲基]硅烷 、 (3-ethoxy-propyl)-dichloro-methyl-silane
  参考文献：
  名称：

  Mechanistic insights into the hydrosilylation of allyl compounds – Evidence for different coexisting reaction pathways

  摘要：

  The hydrosilylation of allyl compounds is often accompanied by the formation of high amounts of byproducts. The formation processes have not been fully understood so far. In this work, the allyl hydrosilylation mechanism is investigated in detail and experimental and theoretical evidence for multiple, coexisting reaction pathways is provided. Based on earlier reports and the observations during an extensive catalytic study, different pathways, leading to the observed byproducts, were identified and proven by labeling experiments and DFT calculations. Oxidative addition of the silane and the insertion of the allyl compound into the Pt-H bond turned out to be the crucial, selectivity-determining steps within the catalytic cycle. Based on these findings, it should be possible to systematically influence these steps and pave the way to a rational and straightforward design of more selective catalysts. (C) 2012 Published by Elsevier Inc.

  DOI：

  10.1016/j.jcat.2012.06.006