1,3,5,7,9,11,13-heptacyclohexyl-15-methyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13-heptasila-15-stannapentacyclo[9.5.1.13,9.15,15.17,13]icosane | 118868-48-7

• 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-heptacyclohexyl-15-methyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13-heptasila-15-stannapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• CAS: 118868-48-7
• 化学式: C₄₃H₈₀O₁₂Si₇Sn
• 分子量: 1104.41
• InChiKey: OINCOFQJSRXAQJ-SFHAGYHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.73
• 重原子数：
  63.0
• 可旋转键数：
  7.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  110.76
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  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 、 三氯甲基锡 在 triethylamine 作用下， 以 苯 为溶剂， 以96%的产率得到1,3,5,7,9,11,13-heptacyclohexyl-15-methyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13-heptasila-15-stannapentacyclo[9.5.1.13,9.15,15.17,13]icosane
  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

• 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.