2,6-dimethoxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one | 132885-54-2

• 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: 2,6-dimethoxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
• CAS: 132885-54-2
• 化学式: C₁₄H₁₃N₃O₅
• 分子量: 303.274
• InChiKey: JZQWNODZJIFZRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103.06
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,6-二甲氧基苯酚 、 4-硝基苯胺 在 盐酸 、 sodium hydroxide 、 sodium nitrite 作用下， 生成 2,6-dimethoxy-4-[(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Phenylazophenol-quinone phenylhydrazone tautomerism in chromogenic cryptands and corands with inward-facing phenolic units and their acyclic analogs

  摘要：

  A series of 4-(4'-nitrophenol)azophenol compounds is prepared in which ether oxygen-containing substituents are attached at the 2- and 6-positions or connect the 2- and 6-positions to incorporate the chromophoric unit into corand or cryptand structures with inward-facing phenolic groups. The phenylazophenol-quinone phenylhydrazone tautomerism of these compounds, as probed by ultraviolet-visible spectroscopy, reveals a pronounced effect of the structure of the ether oxygen-containing substituents or bridging unit upon the tautomeric equilibrium. Chromogenic responses of five cryptands with inward-facing phenolic groups to sodium and potassium ions are determined and compared.

  DOI：

  10.1021/jo00007a057