(1S,5S)-1,5-bis(4-methylquinolin-2-yl)pentane-1,5-diol | 910560-02-0

• 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: (1S,5S)-1,5-bis(4-methylquinolin-2-yl)pentane-1,5-diol
• CAS: 910560-02-0
• 化学式: C₂₅H₂₆N₂O₂
• 分子量: 386.494
• InChiKey: ZNBZBMSXJADDHJ-DQEYMECFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  66.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S,5S)-1,5-bis(4-methylquinolin-2-yl)pentane-1,5-diol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2,2'-((2R,6R)-1-((4-methylquinolin-2-yl)methyl)piperidine-2,6-diyl)bis(4-methylquinoline)
  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 、 (-)-diisopinocamphenylborane chloride 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 0.5h， 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

文献信息

• Redox-Triggered Interconversion between Piperidine Chair Conformations in a Cu(I/II) Complex
  作者：Jing Zhang、James W. Canary

  DOI：10.1021/ol061364k

  日期：2006.8.1

  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.