3-chloro-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one | 1639808-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-chloro-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
• 英文别名: 3-chloro-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
• CAS: 1639808-85-7
• 化学式: C₁₁H₇ClN₄O
• 分子量: 246.656
• InChiKey: TWDBRAGHKGZWKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one 在 哌啶 、 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-(3-hydrazinyl-7-oxo-2-phenyl-2H-pyrazolo[3,4-d]pyridazine-6(7H)-yl)acetohydrazide
  参考文献：
  名称：

  Synthesis of Polysubstituted Pyrazolo[3,4-b]pyridine-3-Carbohydrazide and Pyrazolo[3,4-d]pyridazine Derivatives

  摘要：

  5‐Amino‐4‐formyl pyrazole carboxylate gave facile reactions with malononitrile, hydrazine, and ketones in the presence of piperidine furnished substituted pyrazolo[3,4‐b]pyridines and pyrazolo[3,4‐b]quinolones. The pyridazine sulfonamides were obtained by the reaction of 5‐chloro 4‐formyl pyrazole carboxylate with sulfonamide derivatives.

  DOI：

  10.1002/jhet.1779
• 作为产物：
  描述：

  ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate 在 哌啶 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以62%的产率得到3-chloro-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
  参考文献：
  名称：

  Synthesis of Polysubstituted Pyrazolo[3,4-b]pyridine-3-Carbohydrazide and Pyrazolo[3,4-d]pyridazine Derivatives

  摘要：

  5‐Amino‐4‐formyl pyrazole carboxylate gave facile reactions with malononitrile, hydrazine, and ketones in the presence of piperidine furnished substituted pyrazolo[3,4‐b]pyridines and pyrazolo[3,4‐b]quinolones. The pyridazine sulfonamides were obtained by the reaction of 5‐chloro 4‐formyl pyrazole carboxylate with sulfonamide derivatives.

  DOI：

  10.1002/jhet.1779

文献信息

• Synthesis of Polysubstituted Pyrazolo[3,4-<i>b</i>]pyridine-3-Carbohydrazide and Pyrazolo[3,4-<i>d</i>]pyridazine Derivatives
  作者：Dinesh C. Bhavsar、Prashant S. Nikam、Sachin A. Gangurde、Raghunath B. Toche

  DOI：10.1002/jhet.1779

  日期：2014.5

  5‐Amino‐4‐formyl pyrazole carboxylate gave facile reactions with malononitrile, hydrazine, and ketones in the presence of piperidine furnished substituted pyrazolo[3,4‐b]pyridines and pyrazolo[3,4‐b]quinolones. The pyridazine sulfonamides were obtained by the reaction of 5‐chloro 4‐formyl pyrazole carboxylate with sulfonamide derivatives.