4-nitro-2-((4-propoxybenzylidene)amino)phenol | 1621994-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-nitro-2-((4-propoxybenzylidene)amino)phenol
• CAS: 1621994-23-7
• 化学式: C₁₆H₁₆N₂O₄
• 分子量: 300.314
• InChiKey: NJKMGKVYSMQBPD-UHFFFAOYSA-N

物化性质

• 沸点：
  514.5±50.0 °C(predicted)
• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  84.96
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-nitro-2-((4-propoxybenzylidene)amino)phenol 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 氯仿 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  New Mesogenic Compounds Containing a Terminal-Substituted Benzoxazole Unit

  摘要：

  A series of novel mesogenic 2-(4-alkoxyphenyl-1-yl)-benzoxazole derivatives bearing different substituents (H, NO2, CH3, Cl, coded as nPB-H, nPB-N, nPB-M, and nPB-C, respectively) at the 5-position were prepared and characterized. nPB-N, nPB-M, and nPB-C exhibited enantiotropic smectic mesophases with the mesophase ranges 3 degrees C-32 degrees C and 3 degrees C-82 degrees C on heating and cooling processes, whereas nPB-H showed no mesophases. The substituents with the stronger electron withdrawing effect let to the wider mesomorphic temperature domain. The nPB-M, nPB-C, and nPB-H displayed intense emission in CH2Cl2 solutions with lambda(max) peaks of the photoluminescence spectra at 350-355nm when excited at their absorption maxima.

  DOI：

  10.1080/15421406.2013.837997
• 作为产物：
  描述：

  对羟基苯甲醛 在 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-nitro-2-((4-propoxybenzylidene)amino)phenol
  参考文献：
  名称：

  New Mesogenic Compounds Containing a Terminal-Substituted Benzoxazole Unit

  摘要：

  A series of novel mesogenic 2-(4-alkoxyphenyl-1-yl)-benzoxazole derivatives bearing different substituents (H, NO2, CH3, Cl, coded as nPB-H, nPB-N, nPB-M, and nPB-C, respectively) at the 5-position were prepared and characterized. nPB-N, nPB-M, and nPB-C exhibited enantiotropic smectic mesophases with the mesophase ranges 3 degrees C-32 degrees C and 3 degrees C-82 degrees C on heating and cooling processes, whereas nPB-H showed no mesophases. The substituents with the stronger electron withdrawing effect let to the wider mesomorphic temperature domain. The nPB-M, nPB-C, and nPB-H displayed intense emission in CH2Cl2 solutions with lambda(max) peaks of the photoluminescence spectra at 350-355nm when excited at their absorption maxima.

  DOI：

  10.1080/15421406.2013.837997