phenyl 6-(4-propoxyphenyl)nicotinate | 1315610-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: phenyl 6-(4-propoxyphenyl)nicotinate
• 英文别名: Phenyl 6-(4-propoxyphenyl)pyridine-3-carboxylate；phenyl 6-(4-propoxyphenyl)pyridine-3-carboxylate
• CAS: 1315610-74-2
• 化学式: C₂₁H₁₉NO₃
• 分子量: 333.387
• InChiKey: KKDMGYSNINAHGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  烟酸苯酯 在 邻四氯苯醌 、 magnesium 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 11.5h， 生成 phenyl 6-(4-propoxyphenyl)nicotinate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of a Series of Phenyl 6-(4-Alkoxyphenyl)nicotinates

  摘要：

  A new homologous series of phenyl 6-(4-alkoxyphenyl)nicotinates (nOPNicP, n=3-7) was synthesized. The entire synthetic procedure was completed in a short two-step process. Very good two-step overall yields of 70-80% were obtained and high alpha-regioselective addition of Grignard reagents to 1-acylnicotinium salts was observed while preparing this series of liquid crystals. Spectral analyses were in accordance with the expected structures. Their thermotropic behaviours were studied using polarizing optical microscopy and further confirmed by differential scanning calorimetry. Smectic A phase was found to be the only mesophase in this series of compounds.

  DOI：

  10.3987/com-11-12155

文献信息

• Synthesis and Mesomorphic Properties of a Series of Phenyl 6-(4-Alkoxyphenyl)nicotinates
  作者：Win-Long Chia、Cheng-Yao Tsai

  DOI：10.3987/com-11-12155

  日期：——

  A new homologous series of phenyl 6-(4-alkoxyphenyl)nicotinates (nOPNicP, n=3-7) was synthesized. The entire synthetic procedure was completed in a short two-step process. Very good two-step overall yields of 70-80% were obtained and high alpha-regioselective addition of Grignard reagents to 1-acylnicotinium salts was observed while preparing this series of liquid crystals. Spectral analyses were in accordance with the expected structures. Their thermotropic behaviours were studied using polarizing optical microscopy and further confirmed by differential scanning calorimetry. Smectic A phase was found to be the only mesophase in this series of compounds.