4-((4-chlorobenzylidene)amino)phenyl hexanoate | 1236312-54-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-((4-chlorobenzylidene)amino)phenyl hexanoate
• CAS: 1236312-54-1
• 化学式: C₂₃H₂₈ClNO₂
• 分子量: 385.934
• InChiKey: PZLNXYZPLCAQBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.14
• 重原子数：
  27.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  38.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  对氨基苯酚 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-((4-chlorobenzylidene)amino)phenyl hexanoate
  参考文献：
  名称：

  Synthesis and mesomorphic properties of Schiff base esters possessing terminal chloro substituent

  摘要：

  A homologous series of Schiff base esters, 4-chlorobenzylidene-4'-n-alkanoyloxyanilines, containing even number of carbons at the end groups of the molecules (Cn-1H2n-1COO-, n = 4, 6, 8, 10, 12, 14, 16) were synthesized. The mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that the end groups of the molecules had an effect on the mesomorphic properties. n-Butanoyloxy was found non-mesogenic, whilst n-hexanoyloxy exhibited monotropic smectic phase. The higher members in this homologous series were enantiotropic smectogens. (C) 2010 Sie Tiong Ha. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.01.023