2,8-dibromo-5,6'-dimethyl-5H-spiro[dibenzo[b,e][1,4]azasiline-10,2'-[1,3,6,2]dioxazasilocane] | 132806-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2,8-dibromo-5,6'-dimethyl-5H-spiro[dibenzo[b,e][1,4]azasiline-10,2'-[1,3,6,2]dioxazasilocane]
• CAS: 132806-99-6
• 化学式: C₁₈H₂₀Br₂N₂O₂Si
• 分子量: 484.262
• InChiKey: NLTSROUVJVGXHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  25.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  24.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-甲基二乙醇胺 、 2,8-dibromo-5-methyl-10,10-dimethoxyphenazasiline 以 甲苯 为溶剂， 反应 48.0h， 以64%的产率得到2,8-dibromo-5,6'-dimethyl-5H-spiro[dibenzo[b,e][1,4]azasiline-10,2'-[1,3,6,2]dioxazasilocane]
  参考文献：
  名称：

  Synthesis, spectroscopic and structural studies of spirocyclic pseudosilatranes

  摘要：

  Spirocyclic pseudosilatranes have been prepared from the condensation of (HOCH2CH2)2NMe with dihydrophenazasilines or by alcohol exchange with dialkoxyphenazasilines. The structures have been investigated in solution by H-1, C-13 and Si-29 NMR spectroscopy and in the solid state by X-ray diffraction. The interatomic Si...N distance in the 1,3-dioxa-6-aza-2-silacyclooctane ring in two 5-methyl-2,8-dioxa-5-aza-1-silacyclooctane-1-spiro-(2,8-dibromo-5-alkyl-10-silaphenzasiline) derivatives is 2.968 and 2.986 angstrom which indicates a weak nitrogen-silicon interaction such as might occur in an intermediate stage of nucleophilic substitution at tetrahedral silicon. The solution data support an equilibrium between a boat-boat conformation (closed form with presumed pentacoordinate Si) and the chair-chair conformation (open form, tetrahedral Si). The spirocyclic pseudosilatranes and related acyclic pseudosilatranes are compared.

  DOI：

  10.1016/0022-328x(90)85487-j