| 1117706-91-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1117706-91-8
• 化学式: C₅₆H₁₂₂O₁₂Si₇
• 分子量: 1184.18
• InChiKey: AXDOOJATXQOLCW-NDDBSYJCSA-N

物化性质

• 沸点：
  843.6±48.0 °C(predicted)
• 密度：
  1.01±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  18.25
• 重原子数：
  75.0
• 可旋转键数：
  49.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  143.76
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  titanium(IV) isopropylate 、 以 甲醇 为溶剂， 生成 titanium isopropoxide n-octylsilsesquioxane
  参考文献：
  名称：

  High-speed experimentation techniques applied to the study of the synthesis of zeolites and silsesquioxanes

  摘要：

  High-speed experimentation (HSE) techniques are newly developed methods that, allowing the fast preparation and analysis of large numbers of parallel experiments, enable to screen an extensive parameter space. These techniques are particularly useful to investigate chemical systems for which a precise knowledge of the overall reaction or formation mechanism is not available. Here, we report the application of HSE techniques to the study of the synthesis of two families of siloxane compounds: zeolites and silsesquioxanes. Zeolites are well known crystalline microporous materials with broad applications as heterogeneous catalysts. Silsesquioxanes are small, discrete siloxane cages used both as homogeneous catalysts and as model compounds for silica surfaces and zeolites. With our HSE approach we were able to investigate the synthesis of alummium-rich zeolite beta (Si/Al ratio from 2.5 to 5) and to identify a new and fast way to synthesise silsesquioxane precursors for Ti-catalysts active in the epoxidation of alkenes. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(01)00494-0