1-(2-(2-chlorophenyl)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-idyl)-1-(quinolin-2-yl)ethyl)pyridinium | 1350372-29-0

• 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: 1-(2-(2-chlorophenyl)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-idyl)-1-(quinolin-2-yl)ethyl)pyridinium
• 英文别名: 5-[1-(2-Chlorophenyl)-2-pyridin-1-ium-1-yl-2-quinolin-2-ylethyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate；5-[1-(2-chlorophenyl)-2-pyridin-1-ium-1-yl-2-quinolin-2-ylethyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
• CAS: 1350372-29-0
• 化学式: C₂₈H₂₃ClN₂O₄
• 分子量: 486.955
• InChiKey: WFTZVFUTRHSYDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吡啶 、 2-甲基喹啉 、 丙二酸环(亚)异丙酯 、 2-氯苯甲醛 在 碘 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以70%的产率得到1-(2-(2-chlorophenyl)-2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-idyl)-1-(quinolin-2-yl)ethyl)pyridinium
  参考文献：
  名称：

  Synthesis of New Class of Alkyl Azarene Pyridinium Zwitterions via Iodine Mediated sp³ C–H Bond Activation

  摘要：

  An efficient and conceptually different approach toward C-H bond activation by using iodine mediated sp(3) C-H functionalization for the synthesis of alkyl azaarene pyridinium zwitterions is described. This work has the interesting distinction of being the first synthesis of a new class of alkyl azaarene pyridinium zwitterion via transition-metal-free sp(3) C-H bond activation of an alkyl azaarene.

  DOI：

  10.1021/ol202654j

文献信息

• Synthesis of New Class of Alkyl Azarene Pyridinium Zwitterions via Iodine Mediated sp³ C–H Bond Activation
  作者：Atul Kumar、Garima Gupta、Suman Srivastava

  DOI：10.1021/ol202654j

  日期：2011.12.16

  An efficient and conceptually different approach toward C-H bond activation by using iodine mediated sp(3) C-H functionalization for the synthesis of alkyl azaarene pyridinium zwitterions is described. This work has the interesting distinction of being the first synthesis of a new class of alkyl azaarene pyridinium zwitterion via transition-metal-free sp(3) C-H bond activation of an alkyl azaarene.