6,8-dimethyl-2’-methylthio-2-oxo-2,3,3’,3a’-tetrahydrospiro[imidazo[1,2-a]pyridine-3,3’-pyrazolo-[5,1-a]isoquinoline] | 1449579-13-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,8-dimethyl-2’-methylthio-2-oxo-2,3,3’,3a’-tetrahydrospiro[imidazo[1,2-a]pyridine-3,3’-pyrazolo-[5,1-a]isoquinoline]
• CAS: 1449579-13-8
• 化学式: C₂₀H₁₈N₄OS
• 分子量: 362.455
• InChiKey: DKTKDHINZIFAFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  26.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  48.27
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6,8-dimethyl-2’-methylthio-2-oxo-2,3,3’,3a’-tetrahydrospiro[imidazo[1,2-a]pyridine-3,3’-pyrazolo-[5,1-a]isoquinoline] 生成 2-methylthiopyrazolo[5,1-a]isoquinoline-1-[N-(3,5-dimethylpyridin-2-yl)]carboxamide
  参考文献：
  名称：

  Reactions of 3-[Bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones with Quinolinium and Isoquinolinium N-Unsubstituted Aminides

  摘要：

  1,3-Dipolar cycloadditions of 3-[bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones with quinolinium and isoquinolinium N-unsubstituted aminides were investigated and the corresponding spiro[imidazo[1,2-a]pyridine-3,3'-pyrazolo[1,5-a]quinoline] and spiro[imidazo[1,2-a]pyridine-3,3'-pyrazolo[5,1-a]isoquinoline] derivatives were formed by way of the elimination of methanethiol from the primary adducts.

  DOI：

  10.3987/com-12-s(n)42
• 作为产物：
  描述：

  、 2-aminoisoquinolinium mesitylenesulfonate 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以42%的产率得到6,8-dimethyl-2’-methylthio-2-oxo-2,3,3’,3a’-tetrahydrospiro[imidazo[1,2-a]pyridine-3,3’-pyrazolo-[5,1-a]isoquinoline]
  参考文献：
  名称：

  Reactions of 3-[Bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones with Quinolinium and Isoquinolinium N-Unsubstituted Aminides

  摘要：

  1,3-Dipolar cycloadditions of 3-[bis(methylthio)methylene]-2(3H)-imidazo[1,2-a]pyridinones with quinolinium and isoquinolinium N-unsubstituted aminides were investigated and the corresponding spiro[imidazo[1,2-a]pyridine-3,3'-pyrazolo[1,5-a]quinoline] and spiro[imidazo[1,2-a]pyridine-3,3'-pyrazolo[5,1-a]isoquinoline] derivatives were formed by way of the elimination of methanethiol from the primary adducts.

  DOI：

  10.3987/com-12-s(n)42