dimethyl 5-benzamido-6-oxo-1-(phthalazin-1-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate | 1072935-66-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: dimethyl 5-benzamido-6-oxo-1-(phthalazin-1-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate
• CAS: 1072935-66-0
• 化学式: C₂₄H₁₉N₅O₆
• 分子量: 473.445
• InChiKey: FEZUXRNAHJRHCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  141.51
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  dimethyl 5-benzamido-6-oxo-1-(phthalazin-1-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate 在 肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以76%的产率得到hydrazine-1,2-diium di(8-amino-4,7-dioxo-6-(phthalazin-1-ylamino)-3,4,6,7-tetrahydropyrido[3,4-d]pyridazin-1-olate)
  参考文献：
  名称：

  Transformations of (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylates into pyridine and pyrrole derivatives

  摘要：

  New, highly functionalised (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylates proved to be useful and versatile reagents in the formation of highly substituted pyridine, N-aminopyridine, pyrrole and pyrido[3,4-c]pyridazine derivatives. The formation of the particular type heterocyclic system is dependent on the starting (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate. By an appropriate choice of different ester groups it is possible to drive the reactions towards the formation of either pyridine or pyrrole derivatives. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.109
• 作为产物：
  描述：

  trimethyl (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate 、 盐酸肼屈嗪 以 甲醇 为溶剂， 反应 17.0h， 以76%的产率得到dimethyl 5-benzamido-6-oxo-1-(phthalazin-1-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate
  参考文献：
  名称：

  Transformations of (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylates into pyridine and pyrrole derivatives

  摘要：

  New, highly functionalised (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylates proved to be useful and versatile reagents in the formation of highly substituted pyridine, N-aminopyridine, pyrrole and pyrido[3,4-c]pyridazine derivatives. The formation of the particular type heterocyclic system is dependent on the starting (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate. By an appropriate choice of different ester groups it is possible to drive the reactions towards the formation of either pyridine or pyrrole derivatives. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.109