1,5-bis(4-methylquinolin-2-yl)pentane-1,5-dione | 910560-01-9

• 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: 1,5-bis(4-methylquinolin-2-yl)pentane-1,5-dione
• 英文别名: 1,5-Bis(4-methylquinolin-2-yl)pentane-1,5-dione
• CAS: 910560-01-9
• 化学式: C₂₅H₂₂N₂O₂
• 分子量: 382.462
• InChiKey: VZWZWFKTTWAVRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,5-bis(4-methylquinolin-2-yl)pentane-1,5-dione 在 (-)-diisopinocamphenylborane chloride 作用下， 以 四氢呋喃 为溶剂， 生成 (1S,5S)-1,5-bis(4-methylquinolin-2-yl)pentane-1,5-diol
  参考文献：
  名称：

  Redox-Triggered Interconversion between Piperidine Chair Conformations in a Cu(I/II) Complex

  摘要：

  A redox-induced six-membered ring chair-chair conformational interconversion in a copper-coordinated trans-piperidine tripodal ligand is demonstrated. Each group of the 1,2,3-substituted ring can potentially ligate the metal; two equatorial groups ligate the metal in the Cu-I state leaving a disassociated, axial group. However, all three groups (two axial and one equatorial) ligate the metal in the Cu-II state. Exciton-coupled circular dichroism (ECCD) and 2D NMR were used to characterize the structures.

  DOI：

  10.1021/ol061364k
• 作为产物：
  描述：

  戊二酰基二氯 在 吡啶 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 1,5-bis(4-methylquinolin-2-yl)pentane-1,5-dione
  参考文献：
  名称：

  Redox-Triggered Interconversion between Piperidine Chair Conformations in a Cu(I/II) Complex

  摘要：

  A redox-induced six-membered ring chair-chair conformational interconversion in a copper-coordinated trans-piperidine tripodal ligand is demonstrated. Each group of the 1,2,3-substituted ring can potentially ligate the metal; two equatorial groups ligate the metal in the Cu-I state leaving a disassociated, axial group. However, all three groups (two axial and one equatorial) ligate the metal in the Cu-II state. Exciton-coupled circular dichroism (ECCD) and 2D NMR were used to characterize the structures.

  DOI：

  10.1021/ol061364k