methanesulfonic acid (4-methylquinolin-2-yl)methyl ester | 910559-99-8

• 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: methanesulfonic acid (4-methylquinolin-2-yl)methyl ester
• 英文别名: (4-Methylquinolin-2-yl)methyl methanesulfonate；(4-methylquinolin-2-yl)methyl methanesulfonate
• CAS: 910559-99-8
• 化学式: C₁₂H₁₃NO₃S
• 分子量: 251.306
• InChiKey: GWDBMOWNUNNOKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid (4-methylquinolin-2-yl)methyl ester 在 sodium azide 、 18-冠醚-6 作用下， 以 乙腈 为溶剂， 以85%的产率得到2-(azidomethyl)-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：

  4-甲基喹啉-2-甲醛 在 sodium tetrahydroborate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 methanesulfonic acid (4-methylquinolin-2-yl)methyl ester
  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