diethyl 6,6'-(butane-1,4-diyldiimino)bis(5-benzoyl-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate) | 1219623-97-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diethyl 6,6'-(butane-1,4-diyldiimino)bis(5-benzoyl-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate)
• CAS: 1219623-97-8
• 化学式: C₃₆H₃₈N₄O₈
• 分子量: 654.72
• InChiKey: KGYNJBXCJKWSII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  48.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  154.8
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  5-benzoyl-3-ethoxycarbonyl-1-methyl-6-methylthio-1,2-dihydropyridin-2-one 、 四亚甲基二胺 以 异丙醇 为溶剂， 反应 3.0h， 以60%的产率得到diethyl 6,6'-(butane-1,4-diyldiimino)bis(5-benzoyl-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate)
  参考文献：
  名称：

  Recyclization of ethyl 1-alkyl-5-benzoyl-6-methylsulfanyl-2-oxo-1,2-dihydropyridine-3-carboxylates into Bicyclic N-alkyl-5-benzoyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives by the action of nitrogen-containing 1,4- and 1,5-binucleophiles

  摘要：

  Reactions of ethyl 1-alkyl-5-benzoyl-6-methylsulfanyl-2-oxo-1,2-dihydropyridine-3-carboxylates with nitrogen-containing 1,4- and 1,5-binucleophiles (o-phenylenediamine, o-aminobenzenethiol, ethane-1,2-diamine, and propane-1,3-diamine) involved recyclization, leading to the formation of fused N-alkyl-5-benzoyl- 2-oxo-1,2-dihydropyridine-3-carboxamides, diethyl 6,6'-oxybis(1-alkyl-5-benzoyl-2-oxo-1,2-dihydropyridine-3-carboxylates), and diethyl 6,6'-[ethane-1,2-diyl(or propane-1,3-diyl)diimino]bis(1-alkyl-5-benzoyl-2-oxo-1,2-dihydropyridine-3-carboxylates), depending on the reactant ratio. The sequence of formation of intermediate recyclization products was determined.

  DOI：

  10.1134/s1070428009120148