5-(4-hydroxyphenyl)-2-(4-hexylphenyl)pyrimidine | 126957-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(4-hydroxyphenyl)-2-(4-hexylphenyl)pyrimidine
• 英文别名: 4-[2-(4-Hexylphenyl)pyrimidin-5-yl]phenol
• CAS: 126957-46-8
• 化学式: C₂₂H₂₄N₂O
• 分子量: 332.445
• InChiKey: OSBFFMDZGIHZBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-hydroxyphenyl)-2-(4-hexylphenyl)pyrimidine 在 4-二甲氨基吡啶 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 环己酮 为溶剂， 反应 37.0h， 生成 4-(4-cyanophenyl)phenyl 4-octyloxy-2-{11-{4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenyloxy}undecanoyloxy}benzoate
  参考文献：
  名称：

  Structure-Property Relationships in Non-Chiral Liquid Crystal Oligomers Stabilizing Blue Phases

  摘要：

  We prepared 4-(4-cyanophenyl)phenyl 4-octyloxybenzoate derivatives possessing a laterally attached mesogen and investigated their phase transition behavior. They showed a wide temperature range of a nematic phase in spite of being far from a rod-like structure. Each oligomer was found to induce blue phases in the mixture with a conventional chiral smectic liquid crystal. A binary mixture of 4-(4-cyanophenyl)phenyl 4-octyloxy-2-}11-}4-[2-(4-hexyloxyphenypyrimidin-5-yl)phenyloxy]decanoyloxy}benzoate and the chiral compound exhibited a blue phase III with the temperature range of 21K on cooling.

  DOI：

  10.1080/15421400903065697

文献信息

• Boemelburg, Jan; Heppke, Gerd; Ranft, Andreas, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 9, p. 1127 - 1131
  作者：Boemelburg, Jan、Heppke, Gerd、Ranft, Andreas

  DOI：——

  日期：——
• New Chiral Dopants Based on the 2-Fluoro-2-Methylalkoxy Tail for Use in Ferroelectric Liquid Crystal Mixtures
  作者：Michael D. Wand、William N. Thurmes、Rohini T. Vohra、Kundalika M More、Atsushi Yoshizawa、Toshihiro Hirai、Junko Umezawa

  DOI：10.1080/10587259508033586

  日期：1995.4

  A new class of PLC materials based on the 2-fluoro-2-methylalkoxy tail is reported. This new class of materials consistently shows an N* helical pitch opposite in sign to that of the polarization. These materials are compared to their 2-fluoroalkoxy analogs to explore the methyl group's effect on the N* pitch and polarization.