4'-cyanobiphenyl-4-yl 3,4-bis{4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyloxy}benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4'-cyanobiphenyl-4-yl 3,4-bis{4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyloxy}benzoate
• 英文别名: [4-(4-Cyanophenyl)phenyl] 3,4-bis[4-[4-(5-octylpyrimidin-2-yl)phenoxy]butoxy]benzoate；[4-(4-cyanophenyl)phenyl] 3,4-bis[4-[4-(5-octylpyrimidin-2-yl)phenoxy]butoxy]benzoate
• 化学式: C₆₄H₇₃N₅O₆
• 分子量: 1008.31
• InChiKey: RHCKRHVFFMONMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  75
• 可旋转键数：
  34
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-[4-(4-bromobutyloxy)phenyl]-5-octylpyrimidine 在 4-二甲氨基吡啶 、 氢氧化钾 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 potassium iodide 作用下， 以 乙醇 、 二氯甲烷 、 环己酮 为溶剂， 反应 14.0h， 生成 4'-cyanobiphenyl-4-yl 3,4-bis{4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyloxy}benzoate
  参考文献：
  名称：

  Influence of the Alkyl Spacer Length on the Phase Transition Behaviour of the λ-Shaped Liquid Crystal

  摘要：

  We reported that a novel A-shaped liquid-crystalline molecule I-6 in which a cyanobiphenyl and two phenylpyrimidine groups are connected to 3, 4-dihydroxybenzoic acid exhibits an incommensurate SmA phase. In the present study, we have prepared the homologous series of the A-shaped molecules I-n (n = 4, 5, 7, 8, 9, 12) and investigated effect of the spacer length on the phase transition behaviour. Compounds I-4, I-8 and I-12 with an even member of atoms in spacer showed the phase sequences of N-SmA-Cr or SmA-Cr. On the other hand, the odd members 1-7 and 1-9 showed the phase sequence of N-SmA-SmCanti-Cr.

  DOI：

  10.1080/15421400590956225