1-(4-n-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-n-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane
• 英文别名: 1-(4-Pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane；1-(4-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane
• 化学式: C₁₃H₂₈Si₆
• 分子量: 352.878
• InChiKey: XPLNBYAGFBCBLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.98
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(4-n-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane 、 1-碘戊烷 在 正丁基锂 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到1-Pentyl-4-(4-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane
  参考文献：
  名称：

  2,3,5,6,7,8-Hexasilabicyclo[2.2.2]octane-derived Columnar Liquid Crystals

  摘要：

  The title polysilacage compounds with p-alkylphenyl or p-cyanophenyl-substituent were prepared starting with 1-phenyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane; p-pentylphenyl- and p-(2-methylpentyl)phenyl-substituted polysilacages exhibited columnar lamellar phase particularly, whereas cyanophenyl-substituted derivatives showed hexagonal columnar mesophases in spite of the rod-like structures. Introduction of a cyano group resulted in the enhancement of the structural order of the mesophase as compared with the parent cage compounds.

  DOI：

  10.1080/154214091009833
• 作为产物：
  描述：

  1-(4-iodophenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane 、 1-戊炔 在 palladium on activated charcoal bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 作用下， 以 二乙胺 、 乙酸乙酯 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 以87%的产率得到1-(4-n-pentylphenyl)-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane
  参考文献：
  名称：

  2,3,5,6,7,8-Hexasilabicyclo[2.2.2]octane-derived Columnar Liquid Crystals

  摘要：

  The title polysilacage compounds with p-alkylphenyl or p-cyanophenyl-substituent were prepared starting with 1-phenyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane; p-pentylphenyl- and p-(2-methylpentyl)phenyl-substituted polysilacages exhibited columnar lamellar phase particularly, whereas cyanophenyl-substituted derivatives showed hexagonal columnar mesophases in spite of the rod-like structures. Introduction of a cyano group resulted in the enhancement of the structural order of the mesophase as compared with the parent cage compounds.

  DOI：

  10.1080/154214091009833

文献信息

• 2,3,5,6,7,8-Hexasilabicyclo[2.2.2]octane-derived Columnar Liquid Crystals
  作者：Masaki Shimizu、Masanori Nata、Kotaro Watanabe、Tamejiro Hiyama、Seiji Ujiie

  DOI：10.1080/154214091009833

  日期：2005.11.1

  The title polysilacage compounds with p-alkylphenyl or p-cyanophenyl-substituent were prepared starting with 1-phenyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane; p-pentylphenyl- and p-(2-methylpentyl)phenyl-substituted polysilacages exhibited columnar lamellar phase particularly, whereas cyanophenyl-substituted derivatives showed hexagonal columnar mesophases in spite of the rod-like structures. Introduction of a cyano group resulted in the enhancement of the structural order of the mesophase as compared with the parent cage compounds.