[4-[(Pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate | 868615-71-8

• 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-[(Pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
• CAS: 868615-71-8
• 化学式: C₂₂H₁₉N₃O₄
• 分子量: 389.411
• InChiKey: VVQKIFQWRLWNDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  异烟肼 、 4-(4-Ethoxy-benzoyloxy)-benzaldehyd 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以70%的产率得到[4-[(Pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
  参考文献：
  名称：

  Synthesis and Characterization of Liquid Crystalline Materials Incorporating the Novel 4-Amino-1,2,4-triazole and Isonicotinic Acid Hydrazide Moiety

  摘要：

  We report the synthesis and evaluation of thermal behavior of two new mesogenic homologous series of liquid crystalline compound containg 1,2,4-triazole and isonicotinic acid ring at the terminus of the molecule viz. 4-[(4H-1,2,4-triazol-4-ylimino) methyl] phenyl 4-alkoxybenzoate and 4-(2-isonicotinoylcarbonohydrazonoyl) phenyl 4-alkoxybenzoate. Both series have been characterized by elemental analysis, FT-IR, mass spectrometry, 1H-NMR, and 13C-NMR. Phase transition temperatures and the thermal parameters were obtained from differential scanning calorimetry (DSC). The texture observation was performed under polarizing optical microscopy (PMO) attached with Mettler hot stage. All the derivatives are mesomorphic in nature showing nematic phase and the higher member of both series shows smectic phase. The use of isonicotinic acid and triazole as a terminal group has a very dramatic effect on the melting and clearing points. The mesomorphic behavior has been analyzed in terms of structural property relationship.

  DOI：

  10.1080/15421400801915050

文献信息

• Synthesis and Characterization of Liquid Crystalline Materials Incorporating the Novel 4-Amino-1,2,4-triazole and Isonicotinic Acid Hydrazide Moiety
  作者：B. T. Thaker、Pranay Patel

  DOI：10.1080/15421400801915050

  日期：2008.3.20

  We report the synthesis and evaluation of thermal behavior of two new mesogenic homologous series of liquid crystalline compound containg 1,2,4-triazole and isonicotinic acid ring at the terminus of the molecule viz. 4-[(4H-1,2,4-triazol-4-ylimino) methyl] phenyl 4-alkoxybenzoate and 4-(2-isonicotinoylcarbonohydrazonoyl) phenyl 4-alkoxybenzoate. Both series have been characterized by elemental analysis, FT-IR, mass spectrometry, 1H-NMR, and 13C-NMR. Phase transition temperatures and the thermal parameters were obtained from differential scanning calorimetry (DSC). The texture observation was performed under polarizing optical microscopy (PMO) attached with Mettler hot stage. All the derivatives are mesomorphic in nature showing nematic phase and the higher member of both series shows smectic phase. The use of isonicotinic acid and triazole as a terminal group has a very dramatic effect on the melting and clearing points. The mesomorphic behavior has been analyzed in terms of structural property relationship.