1-fluoro-1-methylquasisilatrane

• 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-fluoro-1-methylquasisilatrane
• 英文别名: 2-Methyl-2-fluoro-1,3-dioxa-6-aza-2-silacyclooctane；2-fluoro-2-methyl-1,3,6,2-dioxazasilocane
• 化学式: C₅H₁₂FNO₂Si
• 分子量: 165.24
• InChiKey: JHTWPNOWMNLHBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.16
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyldifluorophenylsilane 、 二乙醇胺 以 苯 为溶剂， 反应 0.5h， 以12%的产率得到1-fluoro-1-methylquasisilatrane
  参考文献：
  名称：

  Reaction of phenyltrifluorosilane and phenyl(hydrocarbyl)difluorosilanes with bis(2-hydroxyethyl)-and tris(2-hydroxyethyl)amine and their N-methyl and O-trimethylsilyl derivatives. A novel route to quasisilatranes

  摘要：

  Reaction of phenyltrifluorosilane, diphenyldifluorosilane, and methylphenyldifluorosilane with bis(2-hydroxyethyl)amine, methyl-bis(2-hydroxyethyl)amine, methyl-bis(2-trimethylsiloxyethyl)amine, leads to 1,3-dioxa-6-aza-2-silacyclooctane derivatives, (N -> Si) quasisilatranes: 1,1-difluoroquasisilatrane, 1-phenyl-1-fluoro-5-methylquasisilatrane, or 1-methyl-1-fluoroquasisilatrane, containing the donor-acceptor bond N -> Si and pentacoordinate silicon atom. 1-Phenylsilatrane was found to be the product of the reaction of phenyltrifluorosilane with tris(2-trimethylsiloxyethyl)an-ne, whereas with tris(2-hydroxyethyl)amine 1-phenylsilatrane and 1-fluorosilatrane were formed in the molar ratio of 3: 1. The structure of the synthesized compounds was proved by H-1, C-13, N-15, F-19, Si-29 NMR and IR spectroscopy.

  DOI：

  10.1134/s1070363206120024