Ethyl 2-<(trimethylsilyl)methyl>hexanoate | 137787-44-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 2-<(trimethylsilyl)methyl>hexanoate
• 英文别名: ethyl 2-(trimethylsilylmethyl)hexanoate
• CAS: 137787-44-1
• 化学式: C₁₂H₂₆O₂Si
• 分子量: 230.423
• InChiKey: ZCYMPYBMUUQBGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  249.8±13.0 °C(Predicted)
• 密度：
  0.865±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-三甲基硅烷-1-己炔 在 *SnCl2 、 钯 氢气 作用下， 以 乙醇 为溶剂， 25.0~90.0 ℃ 、1.96 MPa 条件下， 反应 89.0h， 生成 Ethyl 2-<(trimethylsilyl)methyl>hexanoate
  参考文献：
  名称：

  Takeuchi, Ryo; Sugiura, Masaharu, Journal of the Chemical Society. Perkin transactions I, 1993, # 9, p. 1031 - 1038

  摘要：

  DOI：

文献信息

• Highly regioselective carbonylation of vinylsilanes: a remarkable effect of organosilicon substituent
  作者：Ryo Takeuchi、Naomi Ishii、Nobuhiro Sato

  DOI：10.1039/c39910001247

  日期：——

  The Pd-catalysed hydroesterification of vinylsilanes affords β-silyl esters 1 in high yields with high selectivity, whereas α-silyl esters 2 are obtained in high yields with high selectivity by the Co catalyst.

  Pd 催化乙烯基硅烷的氢酯化反应以高产率和高选择性得到 β-甲硅烷基酯 1，而通过 Co 催化剂以高产率和高选择性获得 α-甲硅烷基酯 2。
• The highly regioselective carbonylation of vinylsilanes
  作者：Ryo Takeuchi、Naomi Ishii、Masaharu Sugiura、Nobuhiro Sato

  DOI：10.1021/jo00041a025

  日期：1992.7

  The hydroesterification of vinylsilanes, catalyzed by transition-metal complexes, afforded both beta-silyl esters 2 and alpha-silyl esters 3 in high yield. The Pd(II) complex-catalyzed reaction showed high beta-regioselectivity, whereas the Co2(CO)8-catalyzed reaction showed high alpha-regioselectivity. Vinylsilanes which bore trialkyl-, diphenylmethyl-, dimethylethoxy-, trimethoxy-, diphenylfluoro-, and difluorophenylsilyl groups were regioselectively, and some cases regiospecifically, hydroesterified. Pd(II) complexes were also shown to be effective catalysts of the hydrocarboxylation of vinylsilanes. Hydrocarboxylation was beta-regiospecific and gave excellent yields of beta-silyl carboxylic acids. Reasonable mechanisms for the reactions are described.
• Takeuchi, Ryo; Sugiura, Masaharu, Journal of the Chemical Society. Perkin transactions I, 1993, # 9, p. 1031 - 1038
  作者：Takeuchi, Ryo、Sugiura, Masaharu

  DOI：——

  日期：——