1,3,5,7,9,11,13,15-Octacyclohexyl-7,15-dihydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[7.7.1.13,13.15,11]nonadecane | 118868-45-4

• 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: 1,3,5,7,9,11,13,15-Octacyclohexyl-7,15-dihydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[7.7.1.13,13.15,11]nonadecane
• 英文别名: 1,3,5,7,9,11,13,15-octacyclohexyl-7,15-dihydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[7.7.1.13,13.15,11]nonadecane
• CAS: 118868-45-4
• 化学式: C₄₈H₉₀O₁₃Si₈
• 分子量: 1099.92
• InChiKey: LPQNLZRELVANKF-UHFFFAOYSA-N

物化性质

• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.39
• 重原子数：
  69
• 可旋转键数：
  8
• 环数：
  15.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  tetrabenzyl titanium 、 1,3,5,7,9,11,13,15-Octacyclohexyl-7,15-dihydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[7.7.1.13,13.15,11]nonadecane 以 甲苯 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Modelling the active sites of heterogeneous titanium epoxidation catalysts using titanium silasequioxanes: insight into specific factors that determine leaching in liquid-phase processes

  摘要：

  活性催化剂用于烯烃的环氧化反应，使用叔丁基过氧化氢，所用催化剂为硅酮钛（IV）衍生物；该催化剂是非浸出型的，不易发生与氧化剂的不可逆质子断裂，其含有一个三齿硅酮配体。

  DOI：

  10.1039/a607935k
• 作为产物：
  描述：

  环己烯 、 alkaline earth salt of/the/ methylsulfuric acid 在 dihydrogen hexachloroplatinate 、 三氯硅烷 作用下， 以 水 、 丙酮 为溶剂， 反应 240.0h， 生成 1,3,5,7,9,11,13,15-Octacyclohexyl-7,15-dihydroxy-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[7.7.1.13,13.15,11]nonadecane
  参考文献：
  名称：

  倍半硅氧烷作为二氧化硅表面的模型

  摘要：

  环己基三氯硅烷 (CySiCl/sub 3/) 的水解缩合得到 (Cy/sub 7/Si/sub 7/O/sub 9/(OH)/sub 3/) (1), (Cy/sub 6/Si/sub 6/O/sub 9/) (2) 和 (Cy/sub 8/Si/sub 8/O/sub 11/(OH)/sub 2/) (3a)。Trisilanol 1 和 3b，即 3a 的双（三苯基锡）衍生物，已通过单晶 X 射线衍射研究进行结构表征。三硅烷醇 1 与三官能单体（例如，R'SiCl/sub 3/、MeGeCl/sub 3/、MeSnCl/sub 3/）发生顶角反应，被选择性地单甲硅烷基化为（Cy/sub 7/Si/sub 7/O /sub 9/(OH)/sub 2/OTMS) (6a) 与三甲基氯硅烷，并且可以脱水为 (Cy/sub 7/Si/sub 7/O/sub 10/(OH)) (7a)。1 的分子结构与

  DOI：

  10.1021/ja00187a028

文献信息

• Synthesis and Characterization of Osmium-Containing Silsesquioxanes:  High-Yield Routes to {Os₃(CO)₁₀(μ-H)[(μ-O)Si₇O₁₀(<i>c</i>-C₆H₁₁)₇]} and the New Clusters {Os₃(CO)₁₀(μ-H)[(μ-O)Si₇O₉(OH)₂(<i>c</i>-C₆H₁₁)₇]}, {[Os₃(CO)₁₀(μ-H)]₂(μ-O)₂Si₇O₉(OH)(<i>c</i>-C₆H₁₁)₇}, {Os₃(CO)₁₀(μ-H)[(μ-O)Si₈O₁₁(OH)(<i>c</i>-C₆H₁₁)₈]}, and {[Os₃(CO)₁₀(μ-H)]₂(μ-O)₂Si₈O₁₁(<i>c</i>-C₆H₁₁)₈}
  作者：Elena Lucenti、Frank J. Feher、Joseph W. Ziller

  DOI：10.1021/om060844c

  日期：2007.1.1

  The reactions of [Os3(CO)10(μ-H)(μ-OH)] (3) with the incompletely condensed silsesquioxanes [(c-C6H11)7Si7O9(OH)3] (1) and [(c-C6H11)8Si8O11(OH)2] (2) afford in high yield Os3(CO)10(μ-H)[(μ-O)Si7O10(c-C6H11)7]} (4) and the new compounds Os3(CO)10(μ-H)[(μ-O)Si7O9(OH)2(c-C6H11)7]} (5), [Os3(CO)10(μ-H)]2(μ-O)2Si7O9(OH)(c-C6H11)7} (6), Os3(CO)10(μ-H)[(μ-O)Si8O11(OH)(c-C6H11)8]} (8), and [Os3(CO)10

  [Os 3（CO）10（μ-H）（μ-OH）]（3）与不完全冷凝的倍半硅氧烷[（c -C 6 H 11）7 Si 7 O 9（OH）3 ]的反应（1）和[（c -C 6 H 11）8 Si 8 O 11（OH）2 ]（2）可以提供高收率Os 3（CO）10（μ-H）[（μ-O）Si 7 O 10（c -C 6H 11）7 ]}（4）和新化合物Os 3（CO）10（μ-H）[（μ-O）Si 7 O 9（OH）2（c -C 6 H 11）7 ]} （5），[Os 3（CO）10（μ-H）] 2（μ-O）2 Si 7 O 9（OH）（c -C 6 H 11）7 }（6），Os 3（ CO）10（μ-H）[（μ-O）Si 8O 11（OH）（c -C 6 H 11）8 ]}（8）和[Os 3（CO）10（μ-H）] 2（μ-O）2 Si 8 O 11（c -C 6 H 11）8 }（9），它们是二氧化硅锚定的[Os
• Macromolecular materials in heterogeneous catalysis: an aluminium silasesquioxane gel as active catalyst in Diels–Alder reactions of enones
  作者：Hendrikus C. L. Abbenhuis、Hendrikus W. G. van Herwijnen、Rutger A. van Santen

  DOI：10.1039/cc9960001941

  日期：——

  A highly active, genuinely heterogeneous catalyst for liquid-phase Diels-Alder reactions of enones results from the silanol centred modification of an incompletely condensed silasesquioxane with trimethylaluminium, the resulting catalytic material being a gel that contains aluminium(III) siloxy functions (Al-O-Si) which are incorporated in a well defined, three-dimensional SiO framework.
• Reactions of incompletely-condensed silsesquioxanes with pentamethylantimony: a new synthesis of metallasilsesquioxanes with important implications for the chemistry of silica surfaces
  作者：Frank J. Feher、Theodore A. Budzichowski、Kamyar Rahimian、Joseph W. Ziller

  DOI：10.1021/ja00036a038

  日期：1992.5

  The reactions of the incompletely condensed polyhedral oligosilsesquioxanes (c-C6H11)7Si7O9(OH)3 (1a), (c-C6H11)7Si7O9(OTMS)(OH)2, (2a), (c-C6H11)7Si7O9(OTMS)2(OH) (3a), (c-C6H11)8Si8O10(OH)2 (4a), and (c-C6H11)7Si7O10(OH) (5a) with excess Me5Sb result in the formation of the corresponding stibonium-substituted silsesquioxanes (c-C6H11)7Si7O9(OSbMe4)3 (1b), (c-C6H11)7Si7O9(OTMS)(OSbMe4)2 (2b), (c-C6H11)7Si7O9(OTMS)2(OSbMe4) (3b), (c-C6H11)8Si8O10(OSbMe4)2 (4b), and (c-C6H11)7Si7O10(OSbMe4) (5b) in high yields. These stibonium siloxides show enhanced reactivity toward main-group and transition-metal halide complexes and provide an alternative route for the preparation of metallasilsesquioxanes. The reaction of 1a with 1 equiv of Me5Sb is much faster than the reactions of Me5Sb with silanols containing fewer than three mutually hydrogen-bonded siloxy groups. This suggests that multiply hydrogen-bonded surface sites are more reactive toward nucleophilic organometallic reagents than either isolated surface silanols or isolated pairs of geminally or vicinally hydrogen-bonded siloxy groups.
• Silsesquioxanes as models for silica surfaces
  作者：Frank J. Feher、David A. Newman、John F. Walzer

  DOI：10.1021/ja00187a028

  日期：1989.3

  The hydrolytic condensation of cyclohexyltrichlorosilane (CySiCl/sub 3/) affords (Cy/sub 7/Si/sub 7/O/sub 9/(OH)/sub 3/) (1), (Cy/sub 6/Si/sub 6/O/sub 9/) (2), and (Cy/sub 8/Si/sub 8/O/sub 11/(OH)/sub 2/) (3a). Trisilanol 1 and 3b, the bis(triphenyltin) derivative of 3a, have been structurally characterized by single-crystal X-ray diffraction studies. Trisilanol 1 undergoes corner-capping reactions

  环己基三氯硅烷 (CySiCl/sub 3/) 的水解缩合得到 (Cy/sub 7/Si/sub 7/O/sub 9/(OH)/sub 3/) (1), (Cy/sub 6/Si/sub 6/O/sub 9/) (2) 和 (Cy/sub 8/Si/sub 8/O/sub 11/(OH)/sub 2/) (3a)。Trisilanol 1 和 3b，即 3a 的双（三苯基锡）衍生物，已通过单晶 X 射线衍射研究进行结构表征。三硅烷醇 1 与三官能单体（例如，R'SiCl/sub 3/、MeGeCl/sub 3/、MeSnCl/sub 3/）发生顶角反应，被选择性地单甲硅烷基化为（Cy/sub 7/Si/sub 7/O /sub 9/(OH)/sub 2/OTMS) (6a) 与三甲基氯硅烷，并且可以脱水为 (Cy/sub 7/Si/sub 7/O/sub 10/(OH)) (7a)。1 的分子结构与
• Modelling the active sites of heterogeneous titanium epoxidation catalysts using titanium silasequioxanes: insight into specific factors that determine leaching in liquid-phase processes
  作者：Hendrikus C. L. Abbenhuis、Simon Krijnen、Rutger A. van Santen

  DOI：10.1039/a607935k

  日期：——

  Active catalysts for the epoxidation of alkenes by tert-butyl hydroperoxide are provided by silasesquioxane titanium(IV) derivatives; a non-leaching catalyst, not prone to irreversible protic cleavage of its siloxy functions by the oxidizing agent, contains a terdentate silasesquioxane ligand.

  活性催化剂用于烯烃的环氧化反应，使用叔丁基过氧化氢，所用催化剂为硅酮钛（IV）衍生物；该催化剂是非浸出型的，不易发生与氧化剂的不可逆质子断裂，其含有一个三齿硅酮配体。