(2Z)-2-benzylidene-3-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydropyrazol-2-ium-5-olate | 1185249-20-0

• 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: (2Z)-2-benzylidene-3-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydropyrazol-2-ium-5-olate
• CAS: 1185249-20-0
• 化学式: C₂₁H₃₀N₂OSi
• 分子量: 354.567
• InChiKey: IIDSKNPVKCDSEF-HAHDFKILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  38.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2Z)-2-benzylidene-3-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydropyrazol-2-ium-5-olate 、 2-methylbut-3-yn-2-yl benzoate 在 dichloro(pyridine-2-carboxylato)gold(III) 作用下， 以 二氯甲烷 为溶剂， 生成 、 [(3R,5R)-6,6-dimethyl-1-oxo-5-phenyl-3-[2-tri(propan-2-yl)silylethynyl]-3,5-dihydro-2H-pyrazolo[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.