Ethyl 4-[[4-(4-hexadecoxybenzoyl)oxy-3-methylphenyl]diazenyl]benzoate | 1626398-93-3

• 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: Ethyl 4-[[4-(4-hexadecoxybenzoyl)oxy-3-methylphenyl]diazenyl]benzoate
• 英文别名: ethyl 4-[[4-(4-hexadecoxybenzoyl)oxy-3-methylphenyl]diazenyl]benzoate
• CAS: 1626398-93-3
• 化学式: C₃₉H₅₂N₂O₅
• 分子量: 628.852
• InChiKey: MXJFUJONBKPYCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.4
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  86.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯佐卡因 在 吡啶 、 盐酸 、 sodium nitrite 作用下， 生成 Ethyl 4-[[4-(4-hexadecoxybenzoyl)oxy-3-methylphenyl]diazenyl]benzoate
  参考文献：
  名称：

  Novel Azoester Compounds with a Lateral Methyl Substituent

  摘要：

  Twelve novel homologues with an azo linkage of the series 4-carbethoxy-[3 ' methyl-4 ' (4('')-n-alkoxy benzoyloxy)] azobenzenes have been synthesized. The methyl to n-hexyl homologues exhibit only nematic mesophases, while the n-heptyl to n-tetradecyl homologues exhibit both smectic and nematic mesophases. The n-hexadecyl homologue exhibits only a smectic mesophase. The plot of transition temperatures versus number of carbon atoms in alkoxy chain exhibits an odd-even effect for the nematic-isotropic transitions. The mesogenic behavior of present series is explained by comparing each homolog of the related mesogenic series. The synthesized compounds were characterized by a combination of elemental analysis and standard spectroscopic methods. For the exhibition of mesomorphic property the role of ester and azo linkages has been discussed. The impact of the lateral methyl group on mesomorphism is also discussed.

  DOI：

  10.1080/15421406.2013.857576

文献信息

• Novel Azoester Compounds with a Lateral Methyl Substituent
  作者：Sandhya Dixit、R. A. Vora

  DOI：10.1080/15421406.2013.857576

  日期：2014.3.24

  Twelve novel homologues with an azo linkage of the series 4-carbethoxy-[3 ' methyl-4 ' (4('')-n-alkoxy benzoyloxy)] azobenzenes have been synthesized. The methyl to n-hexyl homologues exhibit only nematic mesophases, while the n-heptyl to n-tetradecyl homologues exhibit both smectic and nematic mesophases. The n-hexadecyl homologue exhibits only a smectic mesophase. The plot of transition temperatures versus number of carbon atoms in alkoxy chain exhibits an odd-even effect for the nematic-isotropic transitions. The mesogenic behavior of present series is explained by comparing each homolog of the related mesogenic series. The synthesized compounds were characterized by a combination of elemental analysis and standard spectroscopic methods. For the exhibition of mesomorphic property the role of ester and azo linkages has been discussed. The impact of the lateral methyl group on mesomorphism is also discussed.