titanium isopropoxide cyclopentylsilsesquioxane | 193274-01-0

• 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: titanium isopropoxide cyclopentylsilsesquioxane
• CAS: 193274-01-0
• 化学式: C₃₈H₇₀O₁₃Si₇Ti
• 分子量: 979.444
• InChiKey: PKRGKWREIZHGMJ-WHUHIZEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.67
• 重原子数：
  59.0
• 可旋转键数：
  9.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  119.99
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  titanium(IV) isopropylate 、 环戊基三氯硅烷 在 盐酸 、 水 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 titanium isopropoxide cyclopentylsilsesquioxane
  参考文献：
  名称：

  PPP通过使用高速实验技术开发出了一条高效的钛-倍半硅氧烷环氧化催化剂的新途径，PPP感谢TUD的助学金。

  摘要：

  DOI：

  10.1002/1521-3773(20010216)40:4<740::aid-anie7400>3.0.co;2-c

文献信息

• Synthesis and characterisation of titanium silasesquioxane complexes: soluble models for the active site in titanium silicate epoxidation catalysts †
  作者：Mark Crocker、Ruud H. M. Herold、A. Guy Orpen、Martijn T. A. Overgaag

  DOI：10.1039/a905887g

  日期：——

  activity for 16 and 17, it is concluded that the most active site in titanium silicate epoxidation catalysts corresponds to a four-co-ordinate site possessing tripodal geometry. Studies using IR and NMR spectroscopy show that, in the absence of olefins, putative alkylperoxo complexes formed by the addition of TBHP to tripodal complexes decompose rapidly at ambient temperature. Based on the high TBHP-to-epoxide

  制备了硅倍半硅氧烷钛配合物，作为硅酸钛氧化催化剂中催化活性中心的模型。配合物[TiL（R 7 Si 7 O 12）] [R =  c -C 6 H 11，L = CH 2 Ph 5，NMe 2 6，OSiMe 3 7，OPr i 8或OBu t 9; R ＝  c- C 5 H 9，L ＝ CH 2 Ph 13或OPr i 14]是由不完全缩合的硅倍半氧烷R 7 Si 7 O 9的反应制备的。（OH）3 1，2与均配物TiL 4。由以下制备芳氧基衍生物[TiL（R 7 Si 7 O 12）] [R =  c -C 6 H 11，L = OPh 10，OC 6 H 4 F- p 11或OC 6 H 4 NO 2 - p 12]。 8与相应的芳基醇的反应。在5-14上获得的29 Si和13 C NMR光谱数据表明，局部C 3v倍半硅氧烷配体的对称性保留在钛上，这与具有三脚架几何形状的单体配合物
• High-speed experimentation techniques applied to the study of the synthesis of zeolites and silsesquioxanes
  作者：Paolo P Pescarmona、Johannes J.T Rops、Jan C van der Waal、Jacobus C Jansen、Thomas Maschmeyer

  DOI：10.1016/s1381-1169(01)00494-0

  日期：2002.5

  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.