3'-(3-oxo-5,6-diphenyl-2H-pyridazin-4-yl)-1'-(1-iminocarboxamido)-4'H-spiro[2-oxo-1H-indol-3,5'-pyrazole] | 1219602-25-1

• 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: 3'-(3-oxo-5,6-diphenyl-2H-pyridazin-4-yl)-1'-(1-iminocarboxamido)-4'H-spiro[2-oxo-1H-indol-3,5'-pyrazole]
• 英文别名: 2-oxo-3'-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)spiro[1H-indole-3,5'-4H-pyrazole]-1'-carboximidamide
• CAS: 1219602-25-1
• 化学式: C₂₇H₂₁N₇O₂
• 分子量: 475.509
• InChiKey: UCERYAGXJBNSLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(3-oxo-5,6-diphenyl-2H-pyridazin-4-yloxoethylidene)-1,3-dihydro-2H-indol-2-one 、 氨基胍碳酸氢盐 以 乙醇 为溶剂， 反应 4.0h， 以73.5%的产率得到3'-(3-oxo-5,6-diphenyl-2H-pyridazin-4-yl)-1'-(1-iminocarboxamido)-4'H-spiro[2-oxo-1H-indol-3,5'-pyrazole]
  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.