1-acetoxyl-3,4-didodecyloxybenzene | 883981-74-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-acetoxyl-3,4-didodecyloxybenzene
• CAS: 883981-74-6
• 化学式: C₃₂H₅₆O₄
• 分子量: 504.794
• InChiKey: DLMYEGXGGZFHLI-UHFFFAOYSA-N

物化性质

• 熔点：
  54 °C
• 沸点：
  577.9±40.0 °C(Predicted)
• 密度：
  0.937±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.21
• 重原子数：
  36.0
• 可旋转键数：
  25.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-acetoxyl-3,4-didodecyloxybenzene 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以93%的产率得到3,4-bis(dodecyloxy)phenol
  参考文献：
  名称：

  Synthesis and Optical/Thermal Behavior of New Azo Photoisomerizable Discotic Liquid Crystals

  摘要：

  In this study. discotic azo compounds were prepared by it reductive coupling of 5-nitroisophthalic acid followed by a convergent synthesis, resulting it) Five new examples of azo photoisomerizable discotic molecules. which differ from each other by the linking groups (ester, amide or 1,3,4-oxadiazole) and number of aliphatic chain (4 or 8). The thermal and liquid crystalline properties of the compounds were completely characterized by differential scanning calorimetry, polarized optical microscopy and X-ray diffraction analysis. Two products presented a stable columnar hexagonal mesophase with 9 and 134 degrees C or range. The results obtained show that the Choice of the linking group and number of aliphatic chains has a significative influence in the materials properties. The pholoisomerization capacity was evaluated in solution by spectroscopic methods and also by H-1 NMR. indicating that these molecules m-e promising candidates. for controlling file conductivity in electro-optical devices.

  DOI：

  10.1021/ma902460c
• 作为产物：
  描述：

  1-acetyl-3,4-didodecyloxybenzene 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.5h， 以75%的产率得到1-acetoxyl-3,4-didodecyloxybenzene
  参考文献：
  名称：

  Synthesis and Optical/Thermal Behavior of New Azo Photoisomerizable Discotic Liquid Crystals

  摘要：

  In this study. discotic azo compounds were prepared by it reductive coupling of 5-nitroisophthalic acid followed by a convergent synthesis, resulting it) Five new examples of azo photoisomerizable discotic molecules. which differ from each other by the linking groups (ester, amide or 1,3,4-oxadiazole) and number of aliphatic chain (4 or 8). The thermal and liquid crystalline properties of the compounds were completely characterized by differential scanning calorimetry, polarized optical microscopy and X-ray diffraction analysis. Two products presented a stable columnar hexagonal mesophase with 9 and 134 degrees C or range. The results obtained show that the Choice of the linking group and number of aliphatic chains has a significative influence in the materials properties. The pholoisomerization capacity was evaluated in solution by spectroscopic methods and also by H-1 NMR. indicating that these molecules m-e promising candidates. for controlling file conductivity in electro-optical devices.

  DOI：

  10.1021/ma902460c