| 209474-11-3

• 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
• CAS: 209474-11-3
• 化学式: C₁₂H₂₄F₂Si₃
• 分子量: 290.576
• InChiKey: BIYVICQVDYEZOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 air 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以63%的产率得到1-Fluoro-3,4-dimethyl-2,5-bis-trimethylsilanyl-1H-silol-1-ol
  参考文献：
  名称：

  Modification of the electronic structure of silole by the substituents on the ring silicon

  摘要：

  A series of 3,4-dimethyl-2,5-bis(trimethylsilyl)silo having various substituents on the ring silicon atom have been prepared and their UV absorption spectra have been determined. Their absorption maxima steadily shifted to longer wavelengths as the 1,1-substituents on the ring silicon atom become more electronegative. Ab initio calculations at the HF/6-31G(d) level of theory showed that the nature of the 1,1-substituents strongly affects the HOMO and LUMO energy levels of the silole ring mainly due to inductive effects. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00425-2
• 作为产物：
  描述：

  1-(三甲基硅基)丙炔 在 正丁基锂 、 二氯二茂锆 、 Py(HF)x 、 水 、 碘 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 39.0h， 生成
  参考文献：
  名称：

  Modification of the electronic structure of silole by the substituents on the ring silicon

  摘要：

  A series of 3,4-dimethyl-2,5-bis(trimethylsilyl)silo having various substituents on the ring silicon atom have been prepared and their UV absorption spectra have been determined. Their absorption maxima steadily shifted to longer wavelengths as the 1,1-substituents on the ring silicon atom become more electronegative. Ab initio calculations at the HF/6-31G(d) level of theory showed that the nature of the 1,1-substituents strongly affects the HOMO and LUMO energy levels of the silole ring mainly due to inductive effects. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00425-2