diazene-1,2-diylbis(4,1-phenylene) bis(undec-10-enoate) | 1191421-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: diazene-1,2-diylbis(4,1-phenylene) bis(undec-10-enoate)
• CAS: 1191421-60-9
• 化学式: C₃₄H₄₆N₂O₄
• 分子量: 546.75
• InChiKey: OBRQECHASHZYTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.53
• 重原子数：
  40.0
• 可旋转键数：
  22.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  77.32
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diazene-1,2-diylbis(4,1-phenylene) bis(undec-10-enoate) 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以78%的产率得到(Z)-1,2-bis(4-((9-(oxiran-2-yl)nonanoyl)oxy)phenyl)diazene 1-oxide
  参考文献：
  名称：

  Comparing Liquid Crystalline Properties of Two Epoxy Compounds Based on the Same Azoxy Group

  摘要：

  Two recently synthesised diepoxy compounds based on the same rigid central segment with carbon chains of different lengths were compared. Microscopic observations, differential scanning calorimetry (DSC) and dielectric measurements confirmed the existence of a mesophase in both compounds and enabled determination of the temperatures of phase transitions. Wide-angle X-ray scattering (WAXS) measurements and optical observations enabled identification of mesophase types. Nematic phase appeared in both compounds; in the material with longer chains smectic A phase was also detected. Lengths of the molecules and average nearest neighbor distances were estimated using the wide-angle X-ray scattering results. Lengths of the molecules were also computed by quantum mechanical methods resulting in very good agreement with the experimental data.

  DOI：

  10.1080/15421400802305830
• 作为产物：
  描述：

  2-十一烯酸 、 4,4’-二羟基偶氮苯 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以47.5%的产率得到diazene-1,2-diylbis(4,1-phenylene) bis(undec-10-enoate)
  参考文献：
  名称：

  Comparing Liquid Crystalline Properties of Two Epoxy Compounds Based on the Same Azoxy Group

  摘要：

  Two recently synthesised diepoxy compounds based on the same rigid central segment with carbon chains of different lengths were compared. Microscopic observations, differential scanning calorimetry (DSC) and dielectric measurements confirmed the existence of a mesophase in both compounds and enabled determination of the temperatures of phase transitions. Wide-angle X-ray scattering (WAXS) measurements and optical observations enabled identification of mesophase types. Nematic phase appeared in both compounds; in the material with longer chains smectic A phase was also detected. Lengths of the molecules and average nearest neighbor distances were estimated using the wide-angle X-ray scattering results. Lengths of the molecules were also computed by quantum mechanical methods resulting in very good agreement with the experimental data.

  DOI：

  10.1080/15421400802305830