(2,2,6,6-Tetramethyl-1-oxo-5-phenyl-3,5-dihydropyrazolo[1,2-a]pyridazin-7-yl) benzoate | 1185249-41-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,2,6,6-Tetramethyl-1-oxo-5-phenyl-3,5-dihydropyrazolo[1,2-a]pyridazin-7-yl) benzoate
• 英文别名: (2,2,6,6-tetramethyl-1-oxo-5-phenyl-3,5-dihydropyrazolo[1,2-a]pyridazin-7-yl) benzoate
• CAS: 1185249-41-5
• 化学式: C₂₄H₂₆N₂O₃
• 分子量: 390.482
• InChiKey: NGUSIRYELFAMAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methylbut-3-yn-2-yl benzoate 、 1-benzylidene-4,4-dimethyl-3-oxopyrazolidin-1-ium-2-ide 在 dichloro(pyridine-2-carboxylato)gold(III) 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到(2,2,6,6-Tetramethyl-1-oxo-5-phenyl-3,5-dihydropyrazolo[1,2-a]pyridazin-7-yl) benzoate
  参考文献：
  名称：

  Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters

  摘要：

  The gold-catalyzed [3+3]-cycloaddition reaction of propargyl. esters and azomethine imines has been developed. The reaction provides a rapid entry into a wide range of substituted tetrahydropyridazine derivatives from simple starting materials. A stepwise mechanism involving addition of the 1,3-dipole to a gold-carbenoid intermediate is proposed.

  DOI：

  10.1021/ja903863b

文献信息

• Gold-Catalyzed [3+3]-Annulation of Azomethine Imines with Propargyl Esters
  作者：Nathan D. Shapiro、Yun Shi、F. Dean Toste

  DOI：10.1021/ja903863b

  日期：2009.8.26

  The gold-catalyzed [3+3]-cycloaddition reaction of propargyl. esters and azomethine imines has been developed. The reaction provides a rapid entry into a wide range of substituted tetrahydropyridazine derivatives from simple starting materials. A stepwise mechanism involving addition of the 1,3-dipole to a gold-carbenoid intermediate is proposed.