1-thiophenoxysila-2,10,11-trioxa-6-aza-3,4;8,9;12,13-tris(4',6'-dimethylbenzo)[4.4.4.0]tri-cyclotetradecane | 1446426-09-0

• 英文名称: 1-thiophenoxysila-2,10,11-trioxa-6-aza-3,4;8,9;12,13-tris(4',6'-dimethylbenzo)[4.4.4.0]tri-cyclotetradecane
• CAS: 1446426-09-0
• 化学式: C₃₃H₃₅NO₃SSi
• 分子量: 553.797
• InChiKey: DSVRWMFAUJEGNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  tris-(2-hydroxy-3,5-dimethylbenzyl)amine 在 吡啶 作用下， 以 乙腈 为溶剂， 反应 6.0h， 生成 1-thiophenoxysila-2,10,11-trioxa-6-aza-3,4;8,9;12,13-tris(4',6'-dimethylbenzo)[4.4.4.0]tri-cyclotetradecane
  参考文献：
  名称：

  Synthesis, Characterization, and Reactivity of 1-Ethoxysilatrane

  摘要：

  The synthesis of four new silatranes with all six-membered rings N[CH2(Me2C6H2O)](3)SiR [36, R = OEt (3); OCH2CH2N(Et)(2) (4); SPh (5); OOC(C5H4N) (6)] using tris(2-hydroxy-3,5-dimethylbenzyl)amine as encapsulating agent is described. Silatranes 4, 5, and 6 have been prepared by transesterifications of ethoxy silatrane 3. Structures of these silatranes have been established by elemental analyses; infrared spectroscopy; H-1, C-13, and Si-29 NMR spectroscopy; and mass spectrometry. The results have been correlated with DFT studies using B3LYP basis set at 321G level.

  DOI：

  10.1080/15533174.2012.756023