6-(2-oxo-2-phenylethyl)-2-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one | 1156510-14-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(2-oxo-2-phenylethyl)-2-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
• 英文别名: 6-phenacyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
• CAS: 1156510-14-3
• 化学式: C₁₉H₁₄N₄O₂
• 分子量: 330.346
• InChiKey: UFBFHALLYROGQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  67.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-苯基-6H-吡唑并[3,4-d]哒嗪-7-酮 、 2-溴苯乙酮 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以54%的产率得到6-(2-oxo-2-phenylethyl)-2-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
  参考文献：
  名称：

  Molecular design of pyrazolo[3,4-d]pyridazines

  摘要：

  Reactions of arenediazonium chlorides with ethyl 2-methyl-and 2-chloro-4-oxobutanoates gave, respectively, ethyl 2-(arylhydrazono)propanoates and chloro(arylhydrazono)acetates. Ethyl 2-(arylhydrazono)-propanoates reacted with the Vilsmeier-Haak reagent to give ethyl 1-aryl-4-formyl-1H-pyrazole-3-carboxylates. Ethyl 1-aryl-4-acetyl-5-methyl-1H-pyrazole-3-carboxylates were obtained by reaction of chloro(arylhydrazono) acetates with acetylacetone. Reactions of the obtained pyrazole derivatives with hydrazine and methylhydrazine led to the formation of the corresponding 3,4-R(2)(1)-6-R(2)-2-aryl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-ones (R(1), R(2) = H, Me) which were subjected to alkylation and sulfurization.

  DOI：

  10.1134/s1070428008090182