tert-butyl 2-(1-(chloromethyl)-1-sila-1-cyclohexyl)acetate | 848417-96-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(1-(chloromethyl)-1-sila-1-cyclohexyl)acetate
• 英文别名: Tert-butyl 2-[1-(chloromethyl)silinan-1-yl]acetate；tert-butyl 2-[1-(chloromethyl)silinan-1-yl]acetate
• CAS: 848417-96-9
• 化学式: C₁₂H₂₃ClO₂Si
• 分子量: 262.852
• InChiKey: HYOHMSSKLJMNAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• 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

• 作为反应物：
  描述：

  tert-butyl 2-(1-(chloromethyl)-1-sila-1-cyclohexyl)acetate 在 sodium azide 作用下， 以 环丁砜 为溶剂， 以89%的产率得到tert-butyl 2-(1-(azidomethyl)-1-sila-1-cyclohexyl)acetate
  参考文献：
  名称：

  β-Carbonylsilanes with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom: synthesis, reactivity, and NMR-spectroscopic characterization

  摘要：

  A series of novel beta-carbonylsilanes, with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom, were synthesized, their reactivity was explored, and they were structurally characterized by multinuclear NMR spectroscopy. The aim of these investigations was to provide the basis for the development of novel silicon-based drugs containing a silacyclohexane skeleton, with a CH2C(O)R substituent and an additional C-functionalized organyl group at the silicon atom. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.048
• 作为产物：
  描述：

  1,5-二溴戊烷 在 正丁基锂 、 magnesium 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 生成 tert-butyl 2-(1-(chloromethyl)-1-sila-1-cyclohexyl)acetate
  参考文献：
  名称：

  β-Carbonylsilanes with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom: synthesis, reactivity, and NMR-spectroscopic characterization

  摘要：

  A series of novel beta-carbonylsilanes, with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom, were synthesized, their reactivity was explored, and they were structurally characterized by multinuclear NMR spectroscopy. The aim of these investigations was to provide the basis for the development of novel silicon-based drugs containing a silacyclohexane skeleton, with a CH2C(O)R substituent and an additional C-functionalized organyl group at the silicon atom. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.048

文献信息

• β-Carbonylsilanes with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom: synthesis, reactivity, and NMR-spectroscopic characterization
  作者：Jürgen O. Daiß、Christian Burschka、Reinhold Tacke

  DOI：10.1016/j.jorganchem.2004.08.048

  日期：2005.1

  A series of novel beta-carbonylsilanes, with a silacyclohexane skeleton and additional C-functionalized organyl groups at the silicon atom, were synthesized, their reactivity was explored, and they were structurally characterized by multinuclear NMR spectroscopy. The aim of these investigations was to provide the basis for the development of novel silicon-based drugs containing a silacyclohexane skeleton, with a CH2C(O)R substituent and an additional C-functionalized organyl group at the silicon atom. (C) 2004 Elsevier B.V. All rights reserved.