titanium isopropoxide cyclohexylsilsesquioxane | 193273-96-0

• 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 cyclohexylsilsesquioxane
• 英文别名: [(c-hexyl)7Si7O12Ti(i-PrO)]
• CAS: 193273-96-0
• 化学式: C₄₅H₈₄O₁₃Si₇Ti
• 分子量: 1077.63
• InChiKey: DGHOLMHDDWLAPV-IKSQOMSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  66.0
• 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

• 作为反应物：
  描述：

  titanium isopropoxide cyclohexylsilsesquioxane 、 苯酚 以 乙醚 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  硅倍半硅氧烷钛配合物的合成和表征：硅酸钛环氧化催化剂中活性位点的可溶性模型†

  摘要：

  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

  DOI：

  10.1039/a905887g
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 1,3,5,7,9,11,14-七环己基并三环[7.3.3.15,11]七硅氧烷-3,7,14-三醇 以 四氢呋喃 为溶剂， 以90%的产率得到titanium isopropoxide cyclohexylsilsesquioxane
  参考文献：
  名称：

  Modelling the active sites of heterogeneous titanium-centred epoxidation catalysts with soluble silsesquioxane analogues

  摘要：

  通过合成新的可溶性钛硅倍半氧烷并确定其结构特征，以及通过研究环己烯在它们存在下的环氧化动力学，对Ti–SiO2异质催化剂中三足架固定的TiIV活性位点进行了结构和催化建模。

  DOI：

  10.1039/a703642f

文献信息

• Synthesis and structural characterisation of tripodal titanium silsesquioxane complexes: a new class of highly active catalysts for liquid phase alkene epoxidation
  作者：Mark Crocker、Ruud H. M. Herold、Mark Crocker、A. Guy Orpen

  DOI：10.1039/a704969b

  日期：——

  Titanium silsesquioxane complexes [Ti(L)(R7Si7O12)], possessing tripodal geometry, represent models for heterogeneous titanosilicate catalysts; the new complexes are exceptionally active and selective catalysts for liquid phase alkene epoxidation reactions.

  钛硅烷氧基络合物[Ti(L)(R7Si7O12)]具有三足鼎立的几何形状，是异相钛硅酸盐催化剂的典范；新络合物在液相烯环氧化反应中具有极高的活性和选择性。
• A New, Efficient Route to Titanium-Silsesquioxane Epoxidation Catalysts Developed by Using High-Speed Experimentation Techniques
  作者：Paolo P. Pescarmona、Jan C. van der Waal、Ian E. Maxwell、Thomas Maschmeyer

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

  日期：2001.2.16
• 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.
• Encapsulation of titanium (IV) silsesquioxane into the NH4USY zeolite: Preparation, characterization and application
  作者：Devaney Ribeiro do Carmo、Newton Luiz Dias Filho、Nelson Ramos Stradiotto

  DOI：10.1016/j.materresbull.2006.12.001

  日期：2007.10

  This work describes the encapsulation of titanium (IV) silsesquioxane into the supercavities of NH4USY ultra stabilized zeolite, after chemical treatment. The modified zeolite was characterized by Fourier transform infrared spectra, Nuclear magnetic resonance, scanning electronic microscopy, X-ray diffraction and thermogravity. This encapsulated titanium (IV) silsesquioxane can adsorb Azure A chloride after treatment with H3PO4, without modifier leaching problems. In an electrochemical study, the cyclic voltammograms of the graphite paste modified electrode, shows two redox couples with formal potential (E-0) -0. 1 V and 0.21 V to I and II redox couples respectively (v = 700 mV s(-1); Britton Robinson buffer (B-R) solution, pH 3) versus SCE ascribed to a monomer and dimmer of azure. This paper shows the use of ultra stabilized zeolite in the electrochemical field as host for molecules with nanometric dimensions. (c) 2006 Elsevier Ltd. All rights reserved.