4-[2-amino-4-(4-chlorophenyl)-3-cyanopyridin-6-yl]-5,6-diphenylpyridazin-3-(2H)-one | 1219602-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-[2-amino-4-(4-chlorophenyl)-3-cyanopyridin-6-yl]-5,6-diphenylpyridazin-3-(2H)-one
• 英文别名: 2-amino-4-(4-chlorophenyl)-6-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)pyridine-3-carbonitrile
• CAS: 1219602-33-1
• 化学式: C₂₈H₁₈ClN₅O
• 分子量: 475.937
• InChiKey: QFILJQCEWWLIMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[2-amino-4-(4-chlorophenyl)-3-cyanopyridin-6-yl]-5,6-diphenylpyridazin-3-(2H)-one 、 formamide 反应 6.0h， 以65%的产率得到4-[4-(4-chlorophenyl)-3-cyano-2-(aminomethylydeneimino)pyridin-6-yl]-5,6-diphenylpyridazin-3-(2H)-one
  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
• 作为产物：
  描述：

  4-氯苄亚基丙二腈 、 4-acetyl-5,6-diphenyl-3(2H)-pyridazinone 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以72%的产率得到4-[2-amino-4-(4-chlorophenyl)-3-cyanopyridin-6-yl]-5,6-diphenylpyridazin-3-(2H)-one
  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.