bis[(4-aminophenoxy)hexyl]benzene-1,3-dicarboxylate | 1428449-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis[(4-aminophenoxy)hexyl]benzene-1,3-dicarboxylate
• CAS: 1428449-46-0
• 化学式: C₃₂H₄₀N₂O₆
• 分子量: 548.679
• InChiKey: DTAGRIHADLRIIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  40.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  123.1
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-formylphenyl 4-(octyloxy)benzoate 、 bis[(4-aminophenoxy)hexyl]benzene-1,3-dicarboxylate 以 乙醇 为溶剂， 反应 0.17h， 以60%的产率得到bis-{[(4-octyloxybenzoyloxyphenyl)methylidene]aminophenoxyhexyl}benzene-1,3-di carboxylate
  参考文献：
  名称：

  Isophthalic acid based mesogenic dimers: Synthesis and structural effects on mesophase properties

  摘要：

  Two series of mesogens based on isophthalic acid and side arms containing two and three phenyl rings linked through azomethine or ester groups were synthesized via divergent approach. Another type of structurally similar mesogen was synthesized via convergent approach in which the azomethine groups were replaced by ester groups. All the synthesized mesogens and their intermediates were structurally well characterized using FT-IR, H-1 NMR, C-13 NMR and El-MASS spectrometry. The mesophase characterization was carried out using hot stage-polarizing optical microscopy (POM), differential scanning calorimetry (DSC) and X-ray diffraction (XRD) techniques. The structural changes made in the mesogens i.e. increase of terminal chain length and replacement of azomethine groups with ester groups decreased the transition temperatures whereas the increase of side arm length improves the phase stability to a wide temperature range. Nematic phase was observed for the mesogens with short terminal chain length whereas the smectic polymorphism was observed on increasing the terminal chain length. The structural modification (three ring) on the side arm core stabilizes the mesophases enantiotropically. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.01.047