((4-methylquinolin-2-yl)methyl)amine | 42182-53-6

• 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: ((4-methylquinolin-2-yl)methyl)amine
• 英文别名: 2-Amino-methyl-lepidin；C-(4-methyl-quinolin-2-yl)-methylamine；(4-Methylquinolin-2-yl)methanamine
• CAS: 42182-53-6
• 化学式: C₁₁H₁₂N₂
• 分子量: 172.23
• InChiKey: FBSWGUXPHOSZAC-UHFFFAOYSA-N

物化性质

• 沸点：
  310.5±27.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  (1S,5S)-1,5-bis(4-methylquinolin-2-yl)pentane-1,5-diyl dimethanesulfonate 、 ((4-methylquinolin-2-yl)methyl)amine 反应 3.0h， 以80%的产率得到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：

  4-甲基喹啉-2-甲醛 在 sodium tetrahydroborate 、 sodium azide 、 18-冠醚-6 、 溶剂黄146 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 5.0h， 生成 ((4-methylquinolin-2-yl)methyl)amine
  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.