4-acetyl-3-[(4-cyano-1-phenylpyrazol-5-yl)amino]-5,6-diphenylpyridazine | 1219602-28-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-acetyl-3-[(4-cyano-1-phenylpyrazol-5-yl)amino]-5,6-diphenylpyridazine
• 英文别名: 5-[(4-Acetyl-5,6-diphenylpyridazin-3-yl)amino]-1-phenylpyrazole-4-carbonitrile；5-[(4-acetyl-5,6-diphenylpyridazin-3-yl)amino]-1-phenylpyrazole-4-carbonitrile
• CAS: 1219602-28-4
• 化学式: C₂₈H₂₀N₆O
• 分子量: 456.506
• InChiKey: LFTATJMYOFQCLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-氨基-1-苯基吡唑-4-腈 、 4-acetyl-3-chloro-5,6-diphenylpyridazine 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以86%的产率得到4-acetyl-3-[(4-cyano-1-phenylpyrazol-5-yl)amino]-5,6-diphenylpyridazine
  参考文献：
  名称：

  Synthesis of Some New Pyridazinylspirohetarylindoles and Hetarylpyridazine Derivatives

  摘要：

  Condensation of 4-acetyl-5,6-diphenylpyridazine-3(2H)-one (1) with 1H-indol-2,3-dione afforded the biheterocyclic enone 2. Interaction of 2 with some bifunctional nitrogen nucleophiles and dimedone yielded some novel pyridazinyl spirohetarylindoles 3-6. The reaction of 3-chloropyridazine derivative 7 with some heterocyclic compounds having vicinal amino and cyano groups gave hetarylaminopyridazines 9 and 13. Treatment of acetylpyridazinone I with arylidenecyanoacetate and arylidenemalononitrile afforded pyridylpyridazines 16 and 19, respectively. The effect of some active methylene compounds and thioacetamide on biheterocyclic enone 22 was also studied.

  DOI：

  10.3987/com-09-11845

文献信息

• Synthesis of Some New Pyridazinylspirohetarylindoles and Hetarylpyridazine Derivatives
  作者：Yassin Gabr、Mohamed Abdel-Megid、Mohamed Abdel-Hamid Awas、Naser Mohamed Abdel-Fatah

  DOI：10.3987/com-09-11845

  日期：——

  Condensation of 4-acetyl-5,6-diphenylpyridazine-3(2H)-one (1) with 1H-indol-2,3-dione afforded the biheterocyclic enone 2. Interaction of 2 with some bifunctional nitrogen nucleophiles and dimedone yielded some novel pyridazinyl spirohetarylindoles 3-6. The reaction of 3-chloropyridazine derivative 7 with some heterocyclic compounds having vicinal amino and cyano groups gave hetarylaminopyridazines 9 and 13. Treatment of acetylpyridazinone I with arylidenecyanoacetate and arylidenemalononitrile afforded pyridylpyridazines 16 and 19, respectively. The effect of some active methylene compounds and thioacetamide on biheterocyclic enone 22 was also studied.