(+/-)-trans-1,2-bis{6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyloxy}cyclohexane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (+/-)-trans-1,2-bis{6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyloxy}cyclohexane
• 英文别名: 5-octyl-2-[4-[6-[(1R,2R)-2-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]cyclohexyl]oxyhexoxy]phenyl]pyrimidine
• 化学式: C₅₄H₈₀N₄O₄
• 分子量: 849.254
• InChiKey: PYWNNQXPTCRWQE-YWSWRHJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  62
• 可旋转键数：
  34
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  88.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(5-辛基嘧啶-2-基)苯酚 在 氢氧化钾 、 potassium carbonate 作用下， 以 环己酮 、 二甲基亚砜 、 甲苯 为溶剂， 反应 35.0h， 生成 (+/-)-trans-1,2-bis{6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyloxy}cyclohexane
  参考文献：
  名称：

  Topological Effect in Dimeric Liquid Crystals

  摘要：

  We have prepared some new dimeric liquid crystals in which two phenylpyrimidine moieties are connected via (+/-)-trans-1,2-cyclohexanediol or p-toluenesulfon amide and investigated the transition behaviour. (+/-)-trans-1,2-Bis{6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyloxy)cyclohexane 1 was found to show enantiotropic nematic (N) and smectic A (SnA) phases with a low melting point. On the other hand, N-p-toluensulfonyl-bis{6-[4-(5-octylpyrimidin-2-yl)phenoxy}hexyloxy}amine 2 showed only a monotropic SmA phase. We discuss topological effect of the connecting group on the phase transition behaviour.

  DOI：

  10.1080/15421400590957585

文献信息

• Topological Effect in Dimeric Liquid Crystals
  作者：A. Yoshizawa、T. Kawaguchi

  DOI：10.1080/15421400590957585

  日期：2005.6

  We have prepared some new dimeric liquid crystals in which two phenylpyrimidine moieties are connected via (+/-)-trans-1,2-cyclohexanediol or p-toluenesulfon amide and investigated the transition behaviour. (+/-)-trans-1,2-Bis6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexyloxy)cyclohexane 1 was found to show enantiotropic nematic (N) and smectic A (SnA) phases with a low melting point. On the other hand, N-p-toluensulfonyl-bis6-[4-(5-octylpyrimidin-2-yl)phenoxy}hexyloxy}amine 2 showed only a monotropic SmA phase. We discuss topological effect of the connecting group on the phase transition behaviour.