tetrakis[4-(diisopropylhydroxysilyl)phenyl]silane | 1238619-02-7

• 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: tetrakis[4-(diisopropylhydroxysilyl)phenyl]silane
• 英文别名: Tetrakis[4-[hydroxy-di(propan-2-yl)silyl]phenyl]silane；tetrakis[4-[hydroxy-di(propan-2-yl)silyl]phenyl]silane
• CAS: 1238619-02-7
• 化学式: C₄₈H₇₆O₄Si₅
• 分子量: 857.557
• InChiKey: GSKPEMAXJAGLBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.92
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  tetrakis[4-(diisopropylhydrosilyl)phenyl]silane 在 二甲基二环氧乙烷 作用下， 以 四氯化碳 、 丙酮 为溶剂， 反应 1.0h， 以99.9%的产率得到tetrakis[4-(diisopropylhydroxysilyl)phenyl]silane
  参考文献：
  名称：

  Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks

  摘要：

  Tetrahedral organosilanols E[C6H4Si(i-Pr)(2)OH](4) (E = C, 2a, E = Si, 2b) as well as octahedral organosilanols Si8O12(CH=CHC6H4SiR2OH)(8) (R =i-Pr, 5a; R = Ph, 5b) have been derived from tetraphenylmethane and lane (1a,b) and octavinyloctasilsesquioxane (3) designed for self-assembly of 3D hydrogen-bonding networks possessing large porosity. X-ray analyses following crystallization of 2a,b from THF/benzene and either hexane or heptane revealed adamantane-type networks with hydrogen bonds between the silanols of four separate molecules and selective inclusion of hexane or heptane, respectively Upon changing the mixed solvent to THF/benzene/cyclohexane, X-ray analysis of 2a showed an inclusion compound of composition 2a.1.5benzene TOPOS analyses of 2a.1.5benzene demonstrated a non-adamantane-type framework with sra network topology Crystallization of 5a.b from acetone/benzene followed by X-ray analyses confirmed the production of the inclusion compounds 5a.18benzene and 5b.23benzene. The open frameworks of 5a.18benzene and 5b.23benzene are constructed with zeolitic or fluorite cages, and ast or flu network topology results, based on the TOPOS program The packing of benzene molecules in 5a.18benzene and 5b.23benzenc was found to be similar to that of crystals of pure benzene in edge-to-face arrangements. Thus, hydrogen-bonding networks of polyhedral organosilanols have shown selective inclusion of hydrocarbons into large cavities with adjustable porosity and without interpenetration of one network into another

  DOI：

  10.1021/om901120m

文献信息

• Hydrogen-Bonding 3D Networks by Polyhedral Organosilanols: Selective Inclusion of Hydrocarbons in Open Frameworks
  作者：Yoshiteru Kawakami、Yoshinobu Sakuma、Takashi Wakuda、Tatsuya Nakai、Masayoshi Shirasaka、Yoshio Kabe

  DOI：10.1021/om901120m

  日期：2010.8.9

  Tetrahedral organosilanols E[C6H4Si(i-Pr)(2)OH](4) (E = C, 2a, E = Si, 2b) as well as octahedral organosilanols Si8O12(CH=CHC6H4SiR2OH)(8) (R =i-Pr, 5a; R = Ph, 5b) have been derived from tetraphenylmethane and lane (1a,b) and octavinyloctasilsesquioxane (3) designed for self-assembly of 3D hydrogen-bonding networks possessing large porosity. X-ray analyses following crystallization of 2a,b from THF/benzene and either hexane or heptane revealed adamantane-type networks with hydrogen bonds between the silanols of four separate molecules and selective inclusion of hexane or heptane, respectively Upon changing the mixed solvent to THF/benzene/cyclohexane, X-ray analysis of 2a showed an inclusion compound of composition 2a.1.5benzene TOPOS analyses of 2a.1.5benzene demonstrated a non-adamantane-type framework with sra network topology Crystallization of 5a.b from acetone/benzene followed by X-ray analyses confirmed the production of the inclusion compounds 5a.18benzene and 5b.23benzene. The open frameworks of 5a.18benzene and 5b.23benzene are constructed with zeolitic or fluorite cages, and ast or flu network topology results, based on the TOPOS program The packing of benzene molecules in 5a.18benzene and 5b.23benzenc was found to be similar to that of crystals of pure benzene in edge-to-face arrangements. Thus, hydrogen-bonding networks of polyhedral organosilanols have shown selective inclusion of hydrocarbons into large cavities with adjustable porosity and without interpenetration of one network into another