1-methoxysilatrane

• 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
• 英文名称: 1-methoxysilatrane
• 英文别名: 1-Methoxy-2,8,9-trioxa-5-azonia-1-silanuidatricyclo[3.3.3.01,5]undecane
• 化学式: C₇H₁₅NO₄Si
• 分子量: 205.286
• InChiKey: RVSWEYBIMMUXJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.57
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-hydrosilatrane 在 C₃H₇I 作用下， 生成 1-methoxysilatrane
  参考文献：
  名称：

  Pestunovich, V. A.; Petukhov, L. P.; Rakhlin, V. I., Doklady Chemistry, 1982, vol. 263, p. 128 - 129

  摘要：

  DOI：

文献信息

• 1-Fluorosilatrane synthesis from SiF4 complexes and its properties
  作者：Sergey A. Lermontov、Alena N. Malkova、El’mira Kh. Lermontova、Andrei V. Churakov

  DOI：10.1016/j.jorganchem.2009.04.016

  日期：2009.7

  A new method of 1-fluorosilatrane synthesis on the basis of silicon tetrafluoride complexes obtained from SiO2 is offered. Chemical properties of 1-fluorosilatrane in reactions of nucleophilic substitution are investigated. It is shown that fluorine can be substituted by O-nucleophiles (lithium methoxide, isopropoxide and phenoxide) and C-nucleophile (lithium phenylacetylenide). (C) 2009 Elsevier B.V. All rights reserved.
• Hydrosilyation of CO₂ using a silatrane hydride: structural characterization of a silyl formate compound
  作者：Serge Ruccolo、Erika Amemiya、Daniel G. Shlian、Gerard Parkin

  DOI：10.1139/cjc-2020-0451

  日期：2021.2

  The silatrane hydride compound, [N(CH₂CH₂O)₃]SiH, reacts with CO₂ in the presence of the [tris(2-pyridylthio)methyl]zinc hydride complex, [Tptm]ZnH, to afford the silyl formate and methoxide derivatives, [N(CH₂CH₂O)₃]SiO₂CH and [N(CH₂CH₂O)₃]SiOCH₃. The molecular structure of [N(CH₂CH₂O)₃]SiO₂CH has been determined by X-ray diffraction, thereby demonstrating that the formate ligand adopts a distal conformation in which the uncoordinated oxygen atom resides with a trans-like disposition relative to silicon. Density functional theory calculations indicate that the atrane motif of [N(CH₂CH₂O)₃]SiO₂CH is flexible, such that the energy of the molecule changes relatively little as the Si···N distance varies over the range 2.0–3.0 Å.
• Pestunovich, V. A.; Petukhov, L. P.; Rakhlin, V. I., Doklady Chemistry, 1982, vol. 263, p. 128 - 129
  作者：Pestunovich, V. A.、Petukhov, L. P.、Rakhlin, V. I.、Shterenberg, B. Z.、Mirskov, R. G.、Voronkov, M. G.

  DOI：——

  日期：——