2,2,2-trichloroethyl 4,4-diphenyl-4-silapiperidine-1-carboxylate | 839677-30-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2,2,2-trichloroethyl 4,4-diphenyl-4-silapiperidine-1-carboxylate
• CAS: 839677-30-4
• 化学式: C₁₉H₂₀Cl₃NO₂Si
• 分子量: 428.818
• InChiKey: VLBIPVPNTMABEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,2,2-trichloroethyl 4,4-diphenyl-4-silapiperidine-1-carboxylate 在 溶剂黄146 、 锌 作用下， 反应 48.0h， 以84%的产率得到4,4-diphenyl-4-silapiperidinium chloride
  参考文献：
  名称：

  4-Silapiperidine and 4-silapiperidinium derivatives: syntheses and structural characterization

  摘要：

  A series of novel 4-silapiperidine and 4-silapiperidinium derivatives, with two silicon-bound aryl groups and various N-organyl groups, have been synthesized and structurally characterized (solution H-1, C-13, F-19, and Si-29 NMR spectroscopy; eight crystal structure analyses). These synthetic and structural investigations provide the basis for the development of novel silicon-based drugs containing, a 4-silapiperidine or 4-silapiperidinium skeleton. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.023
• 作为产物：
  描述：

  Bis-(2-bromethyl)-diphenylsilan 在 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 64.0h， 生成 2,2,2-trichloroethyl 4,4-diphenyl-4-silapiperidine-1-carboxylate
  参考文献：
  名称：

  4-Silapiperidine and 4-silapiperidinium derivatives: syntheses and structural characterization

  摘要：

  A series of novel 4-silapiperidine and 4-silapiperidinium derivatives, with two silicon-bound aryl groups and various N-organyl groups, have been synthesized and structurally characterized (solution H-1, C-13, F-19, and Si-29 NMR spectroscopy; eight crystal structure analyses). These synthetic and structural investigations provide the basis for the development of novel silicon-based drugs containing, a 4-silapiperidine or 4-silapiperidinium skeleton. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.08.023