di-tert-butyl 5-benzamido-6-oxo-1-(tetrazolo[1,5-b]pyridazin-6-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate | 1072935-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: di-tert-butyl 5-benzamido-6-oxo-1-(tetrazolo[1,5-b]pyridazin-6-ylamino)-1,6-dihydropyridine-3,4-dicarboxylate
• 英文别名: Ditert-butyl 5-benzamido-6-oxo-1-(tetrazolo[1,5-b]pyridazin-6-ylamino)pyridine-3,4-dicarboxylate
• CAS: 1072935-69-3
• 化学式: C₂₆H₂₈N₈O₆
• 分子量: 548.558
• InChiKey: IHGRCFHSRDABDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  170
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,3-di-tert-butyl 1-methyl (1E,3E)-1-(benzoylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate 、 6-hydrazinotetrazolo[1,5-b]pyridazine hydrochloride 以 甲醇 为溶剂， 反应 6.0h， 以86%的产率得到di-tert-butyl 5-benzamido-6-oxo-1-(tetrazolo[1,5-b]pyridazin-6-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