2-ethyl-N-(7-((4-hydroxyphenyl)amino)-1,8-naphthyridin-2-yl)hexanamide | 1367690-76-3

• 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-hydroxyphenyl)amino)-1,8-naphthyridin-2-yl)hexanamide
• 英文别名: 2-ethyl-N-[7-(4-hydroxyanilino)-1,8-naphthyridin-2-yl]hexanamide
• CAS: 1367690-76-3
• 化学式: C₂₂H₂₆N₄O₂
• 分子量: 378.474
• InChiKey: BTTMPFJASHOQEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  87.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  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
• 作为产物：
  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

文献信息

• Fully Supramolecular Chiral Hydrogen-Bonded Molecular Tweezer
  作者：Augustina Jozeliu̅naitė、Tomas Javorskis、Vytenis Vaitkevičius、Vytautas Klimavičius、Edvinas Orentas

  DOI：10.1021/jacs.2c01455

  日期：2022.5.11

  molecular architectures with high potential for various applications in supramolecular chemistry. Their covalent synthesis, however, is often tedious and the structures obtained lack structural responsiveness beyond the limited conformational flexibility of the scaffold. Herein we present a proof-of-concept study on the design, synthesis, assembly, and transformations of a novel supramolecular construct─a

  分子镊子是开放式、具有空腔的 U 形分子结构，在超分子化学的各种应用中具有很高的潜力。然而，它们的共价合成通常是乏味的，并且获得的结构缺乏结构响应性，超出了支架有限的构象灵活性。在此，我们对一种新型超分子结构（一种完全非共价分子镊子）的设计、合成、组装和转化进行了概念验证研究。超分子镊子由一组四个构件组装而成，由两个相同的分子角条和两个扁平的芳香延伸翼组成，仅使用氢键。手性辅助聚集过程用于使用对映体纯双环角棒确保支架弯曲方向性。为了解决与平衡从循环聚集体中自互补角条的强合作自恋自分类向分子镊子中的综合自分类转变相关的挑战，应用了合理的去对称化策略。动态超分子镊子已显示出丰富的超分子化学，允许聚合拓扑结构的刺激响应变化和溶剂响应超分子聚合。
• Synthesis of a Redox-Responsive Quadruple Hydrogen-Bonding Unit for Applications in Supramolecular Chemistry
  作者：Ying Li、Taiho Park、J. Kwansima Quansah、Steven C. Zimmerman

  DOI：10.1021/ja2069278

  日期：2011.11.2

  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.