bis(4-((E)-((4-((6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-oxohexyl)oxy)phenyl)imino)methyl)phenyl) adipate | 1262889-56-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: bis(4-((E)-((4-((6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-oxohexyl)oxy)phenyl)imino)methyl)phenyl) adipate
• CAS: 1262889-56-4
• 化学式: C₉₈H₁₃₆N₂O₁₀
• 分子量: 1502.17
• InChiKey: DEESIGCWQRMRHV-BSOUCROVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.04
• 重原子数：
  110.0
• 可旋转键数：
  37.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  148.38
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  cholesteryl 6-(4-aminophenoxy)hexanoate 、 bis(4-formylphenyl)hexanedioate 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以86%的产率得到bis(4-((E)-((4-((6-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-oxohexyl)oxy)phenyl)imino)methyl)phenyl) adipate
  参考文献：
  名称：

  Synthesis and Characterization of Cholesterol-Based Tetramers

  摘要：

  Novel symmetrical liquid-crystal tetramers were designed and synthesized. The length of the central spacer and the outer spacers has been varied. The molecular structures of the target compounds were confirmed by Fourier transform infrared and proton nuclear magnetic resonance spectroscopy. The thermal phase behavior of the tetramers was investigated by polarizing optical microscopy and differential scanning calorimetry. All of the liquid-crystal tetramers showed either a chiral nematic mesophase or chiral nematic and smectic mesophases.

  DOI：

  10.1080/15421406.2010.504628