5-(6-nitro-2-benzothiazolylazo)-8-hydroxyquinoline | 1346426-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(6-nitro-2-benzothiazolylazo)-8-hydroxyquinoline
• CAS: 1346426-07-0
• 化学式: C₁₆H₉N₅O₃S
• 分子量: 351.345
• InChiKey: WTUNQDYUUPRZAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113.87
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  8-羟基喹啉 、 2-氨基-6-硝基苯并噻唑 在 硫酸 、 溶剂黄146 、 丙酸 、 sodium nitrite 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 以54%的产率得到5-(6-nitro-2-benzothiazolylazo)-8-hydroxyquinoline
  参考文献：
  名称：

  Solvatochromism, tautomerism and dichroism of some azoquinoline dyes in liquids and liquid crystals

  摘要：

  Absorption and emission spectra of three hetarylazoquinoline compounds with different substituents were examined in liquids and liquid crystalline solvents for the first time. The spectral features of the hetarylazoquinoline dyes were explained according to azo/hydrazone tautomerism in conjunction with the solvatochromic characteristic of the preferred tautomer. The nature and extent of solute-solvent interactions were described using Kamlet-Taft and Katritzky multiparameter polarity scales. It was observed that solvatochromic azo/hydrazone tautomerism depend on multiple solute-solvent interactions, in particular on specific interactions and the solvent ability to transport the hydrogen atom through the media. In addition, it was concluded that anisotropic hosts prevent shift of the tautomeric equilibrium toward the hydrazone form. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.09.021