2-ethyl-N-[7-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,8-naphthyridin-2-yl]hexanamide | 1343495-98-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-ethyl-N-[7-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,8-naphthyridin-2-yl]hexanamide
• CAS: 1343495-98-6
• 化学式: C₂₂H₂₄N₄O₂
• 分子量: 376.458
• InChiKey: GIULISCNZUSLKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  84.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-ethyl-N-[7-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,8-naphthyridin-2-yl]hexanamide 在 对苯二酚 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以96%的产率得到2-ethyl-N-(7-((4-hydroxyphenyl)amino)-1,8-naphthyridin-2-yl)hexanamide
  参考文献：
  名称：

  Synthesis of a Redox-Responsive Quadruple Hydrogen-Bonding Unit for Applications in Supramolecular Chemistry

  摘要：

  A redox-responsive quadruple hydrogen-bonding module (eDAN) has been developed. The strong binding between the reduced form and its partner (DeUG) can be significantly decreased upon oxidation but restored upon subsequent reduction. This on-off switch was successfully applied to provide reversible control of macroscopic supramolecular polymer networks.

  DOI：

  10.1021/ja2069278
• 作为产物：
  描述：

  2-ethyl-N-(7-((4-hydroxyphenyl)amino)-1,8-naphthyridin-2-yl)hexanamide 在 salcomine 、 氧气 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以92%的产率得到2-ethyl-N-[7-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,8-naphthyridin-2-yl]hexanamide
  参考文献：
  名称：

  Synthesis of a Redox-Responsive Quadruple Hydrogen-Bonding Unit for Applications in Supramolecular Chemistry

  摘要：

  A redox-responsive quadruple hydrogen-bonding module (eDAN) has been developed. The strong binding between the reduced form and its partner (DeUG) can be significantly decreased upon oxidation but restored upon subsequent reduction. This on-off switch was successfully applied to provide reversible control of macroscopic supramolecular polymer networks.

  DOI：

  10.1021/ja2069278