hexacyclohexyl-hexasilsesquioxane | 3553-72-8

• 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: hexacyclohexyl-hexasilsesquioxane
• 英文别名: hexa(cyclohexylsilsesquioxane)；hexacyclohexylsilsesquioxane；Hexacyclohexyl-tetracyclo[5.5.1.1^3.11.1^5.9]hexasiloxan；1,3,5,7,9,11-Hexacyclohexyl-2,4,6,8,10,12,13,14,15-nonaoxa-1,3,5,7,9,11-hexasilatetracyclo[5.5.1.13,11.15,9]pentadecane
• CAS: 3553-72-8
• 化学式: C₃₆H₆₆O₉Si₆
• 分子量: 811.428
• InChiKey: APSPUBKBWZKICI-UHFFFAOYSA-N

物化性质

• 熔点：
  265-267 °C
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.83
• 重原子数：
  51
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  hexacyclohexyl-hexasilsesquioxane 在 四乙基氢氧化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 以40%的产率得到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
  参考文献：
  名称：

  Base-catalyzed cleavage and homologation of polyhedral oligosilsesquioxanes

  摘要：

  现成的 Cy6Si6O9 2（Cy = c-C6H11）在 THF 中与 NEt4OH 水溶液反应生成内-C2h-Cy6Si6O7(OH)4 3a，进一步水解后产生的 CySi(OH)3 片段能够与 3a 反应生成内-C3-Cy7Si7O9(OH)3 1b；在有 (乙烯基)Si(OMe)3 存在的情况下，2 与 NEt4OH 水溶液反应，通过 3a 与 (乙烯基)Si(OMe)3 衍生的单硅烷的捕集，生成内-Cs-Cy6(乙烯基)Si7O9(OH)3 1c。

  DOI：

  10.1039/a906397h
• 作为产物：
  描述：

  环己基三氯硅烷 在 二甲基亚砜 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以11%的产率得到hexacyclohexyl-hexasilsesquioxane
  参考文献：
  名称：

  The preparation of hexasilsesquioxane (T₆) cages by “non aqueous” hydrolysis of trichlorosilanes

  摘要：

  通过与二甲亚砜进行 "非水 "水解，从一系列烷基和芳基三氯硅烷中制备出了六亚甲基硅倍半氧烷笼（T6）。

  DOI：

  10.1039/b302556j

文献信息

• A higher yielding route to octasilsesquioxane cages using tetrabutylammonium fluoride, Part 2: further synthetic advances, mechanistic investigations and X-ray crystal structure studies into the factors that determine cage geometry in the solid state
  作者：Alan R. Bassindale、Huiping Chen、Zhihua Liu、Iain A. MacKinnon、David J. Parker、Peter G. Taylor、Yuxing Yang、Mark E. Light、Peter N. Horton、Michael B. Hursthouse

  DOI：10.1016/j.jorganchem.2004.06.063

  日期：2004.10

  of scarce water provides a higher yielding route to substituted octasilsesquioxane cages. Further cages have now been prepared in good yield using this route and their X-ray crystal structures demonstrate that their cage geometries in the solid state are very similar with the packing constraints of the crystal lattices appearing to have the greatest influence on the geometry of the cage core. The mechanism

  最近报道的三乙氧基硅烷与四丁基氟化铵在稀水存在下的反应为取代的八聚倍半硅氧烷笼子提供了更高的收率。现在已经使用这种方法以高收率制备了更多的笼子，它们的X射线晶体结构表明，它们的笼子在固态下的几何形状非常相似，而晶格的堆积约束似乎对晶格的几何形状影响最大。笼芯。尽管尚未明确证明其排他性，但已研究了反应机理并验证了所提出的笼形成机理。通过仔细选择反应条件，已证明速率和产率的急剧增加。
• 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
• The reactions of dialkyl and diarylethoxysilanes with T6 silsesquioxane cages
  作者：Alan R Bassindale、Zhihua Liu、David J Parker、Peter G Taylor、Peter N Horton、Michael B Hursthouse、Mark E Light

  DOI：10.1016/s0022-328x(03)00622-3

  日期：2003.12

  Successful ring-expanding insertion reactions of T-6 silsesquioxane cages using dialkyl and diarylethoxysilanes have been performed to give the first reported mixed T6D1 and T6D2 silsesquioxane cages. The reactions of hexacyclohexylsilsesquioxane (T-6) with dialkyl and diaryldiethoxysilanes give predominantly T6D2 bis-insertion compounds while the reaction of T-6 with dimethylethoxysilane gives one T6D1 mono-insertion product and various T6D2 bis-insertion products as isolable components. Three of the ring-expanded products are chiral and it has been shown from their X-ray crystal structures that the pairs of enantiomers, formed as racemic mixtures, co-crystallise together. As well as comparing these structures with related ones in the literature, the possible mechanism of their formation is discussed. (C) 2003 Elsevier B.V. All rights reserved.
• The structure of hexa(cyclohexylsesquisiloxane), (C6H11)6Si6O9
  作者：H. Behbehani、B.J. Brisdon、M.F. Mahon、K.C. Molloy

  DOI：10.1016/0022-328x(94)80073-1

  日期：1994.4

  The structure of hexa(cyclohexylsesquisiloxane), Cy6Si6O9, has been determined and shown to be based on a cage arrangement in which two non-planar six-membered Si3O3 rings are joined co-facially by Si-O-Si bridges, so generating three further Si4O4 rings. The structural variations in six- and eight-membered (Si-O)(n) rings in this and other known cage sesquisiloxanes are analysed and compared with those of analogous rings in two-dimensional diorganosiloxane heterocycles.
• Facile Framework Cleavage Reactions of a Completely Condensed Silsesquioxane Framework
  作者：Frank J. Feher、Daravong Soulivong、Gregory T. Lewis

  DOI：10.1021/ja972436t

  日期：1997.11.1