tetra-n-butylammonium octakis(2-(carbomethoxy)ethyl)octasilsesquioxane fluoride | 1393730-70-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tetra-n-butylammonium octakis(2-(carbomethoxy)ethyl)octasilsesquioxane fluoride
• 英文别名: Methyl 3-[3,5,7,9,11,13,15-heptakis(3-methoxy-3-oxopropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propanoate;tetrabutylazanium;fluoride
• CAS: 1393730-70-5
• 化学式: C₁₆H₃₆N*C₃₂H₅₆O₂₈Si₈*F
• 分子量: 1374.93
• InChiKey: MOIVYCLFWZTKIR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  86
• 可旋转键数：
  44
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  321
• 氢给体数：
  0
• 氢受体数：
  29

反应信息

• 作为产物：
  描述：

  四丁基氟化铵 、 2-(carbomethoxy)ethyltriethoxysilane 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 16.0h， 以80%的产率得到tetra-n-butylammonium octakis(2-(carbomethoxy)ethyl)octasilsesquioxane fluoride
  参考文献：
  名称：

  Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion

  摘要：

  The presence of strongly electron withdrawing groups on alkoxysilanes, EWG-(CH2)(n)-Si(OEt)(3) (where n = 1-3 and the electron-withdrawing group EWG contains an Si-C(sp(3)) bond), facilitates the formation and encapsulation of the fluoride anion in a silsesquioxane cage. Such species have been studied by F-19 and Si-29 NMR spectroscopy and X-ray crystallography together with MALDI-TOP and ESI mass spectrometry, The EWG must not be a good leaving group. Interestingly, this strategy led only to the T-8 cage and excellent yields were obtained (81-95%) even without solvent. A wide range of functionalities were used. This new route offers an opportunity to build novel nanometer-sized 3-D molecular structures with a variety of functionalities which have not been accessible in the past.

  DOI：

  10.1021/om300277g