4-{5-[4-(4-Propylcyclohexyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-{5-[4-(4-Propylcyclohexyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
• 英文别名: 5-[4-(4-propylcyclohexyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
• 化学式: C₂₂H₂₅N₃O
• mdl: MFCD01843566
• 分子量: 347.46
• InChiKey: VXHKOOHPZMAOMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氰基吡啶 在 吡啶 、 sodium hydroxide 、 盐酸羟胺 作用下， 以 水 、 甲苯 为溶剂， 反应 15.0h， 生成 4-{5-[4-(4-Propylcyclohexyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
  参考文献：
  名称：

  Liquid Crystalline Pyridine Containing 1,2,4-Oxadiazoles

  摘要：

  New mesomorphic 1,2,4-oxadiazoles containing as an electron-acceptor substituent the pyridine cycle with different position of the nitrogen atom with respect to the oxadiazole cycle have been synthesized. The reaction of the isonicotinic and nicotinic amidoximes with various acid chlorides smoothly provided the corresponding mesogenic 3-(4-pyridinyl)- and 3-(3-pyridinyl)-1,2,4-oxadiazoles. On the contrary with picolinic amidoxime as a starting material mainly the uncyclizated nonmesomorphic products were obtained. Temperature and dielectric characteristics of new pyridinic liquid crystals were measured and compared with analogous parameters of corresponding phenyl (cyclohexyl) substituted oxadiazoles.

  DOI：

  10.1080/10587250108025024