| 1259568-23-4

• 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
• CAS: 1259568-23-4
• 化学式: C₁₈H₁₆N₄O₂*H
• 分子量: 321.359
• InChiKey: DPAFRZHHBXZINQ-XLNRJJMWSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.47
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 氘代乙腈 为溶剂， 生成 ethyl (2Z)-2-pyridin-2-yl-2-(quinolin-8-ylhydrazinylidene)acetate
  参考文献：
  名称：

  Switching Around Two Axles: Controlling the Configuration and Conformation of a Hydrazone-Based Switch

  摘要：

  A hydrazone-based rotary switch, having a quinolinyl stator and a pyridine ring as part of the rotor, can be induced using pH to undergo a four-step switching sequence. This process yields three stable isomers and a fourth "metastable" one that can all be addressed separately based on the sequence of acid and base added. The switching process proceeds via conformational and/or configurational changes, allowing the molecule to rotate around two different axles.

  DOI：

  10.1021/ol102422h
• 作为产物：
  描述：

  8-氨基喹啉 在 盐酸 、 三氟乙酸 作用下， 以 氘代乙腈 、 水 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Switching Around Two Axles: Controlling the Configuration and Conformation of a Hydrazone-Based Switch

  摘要：

  A hydrazone-based rotary switch, having a quinolinyl stator and a pyridine ring as part of the rotor, can be induced using pH to undergo a four-step switching sequence. This process yields three stable isomers and a fourth "metastable" one that can all be addressed separately based on the sequence of acid and base added. The switching process proceeds via conformational and/or configurational changes, allowing the molecule to rotate around two different axles.

  DOI：

  10.1021/ol102422h