tert-butyl 11-(4-methoxyphenyl)-10-oxo-7,8,10,11-tetrahydro-3H-indazolo[5,4-b][1,6]naphthyridine-9(6H)-carboxylate | 1431467-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tert-butyl 11-(4-methoxyphenyl)-10-oxo-7,8,10,11-tetrahydro-3H-indazolo[5,4-b][1,6]naphthyridine-9(6H)-carboxylate
• 英文别名: tert-butyl 11-(4-methoxyphenyl)-10-oxo-6,7,8,11-tetrahydro-3H-indazolo[5,4-b][1,6]naphthyridine-9-carboxylate
• CAS: 1431467-88-7
• 化学式: C₂₅H₂₆N₄O₄
• 分子量: 446.506
• InChiKey: UIXJTTQVRIMSMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  96.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二哌啶酮-1-甲酸叔丁酯 、 5-氨基吲唑 、 4-甲氧基苯甲醛 以 乙醇 为溶剂， 反应 14.0h， 以96%的产率得到tert-butyl 11-(4-methoxyphenyl)-10-oxo-7,8,10,11-tetrahydro-3H-indazolo[5,4-b][1,6]naphthyridine-9(6H)-carboxylate
  参考文献：
  名称：

  Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions

  摘要：

  A three-component reaction between an aromatic aldehyde, an amine, and tert-butyl 2,4-dioxopiperidine-1-carboxylate in EtOH at refluxing temperature gave fused tetracyclic heterocycles in high yields. The amines include 1H-indazol-5-amine, 1H-indazol-6-amine, 1H-indol-5-amine, and 1H-benzo[d]imidazol-5-amine, giving 11-aryl-3H-indazolo[5,4-b][1,6]naphthyridine, 11-aryl-1H-indazolo[6,7-b][1,6]naphthyridine, 11-aryl-3H-indolo[5,4-b][1,6]naph-thyridine, and 11-aryl-3H-imidazo[4',5':3,4]benzo[1,2-b][1,6]naphthyridine derivatives, respectively.

  DOI：

  10.1021/co400020w

文献信息

• Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions
  作者：Chao Li、Xing-Ye Mu、Yu-Ling Li、Yun Liu、Xiang-Shan Wang

  DOI：10.1021/co400020w

  日期：2013.5.13

  A three-component reaction between an aromatic aldehyde, an amine, and tert-butyl 2,4-dioxopiperidine-1-carboxylate in EtOH at refluxing temperature gave fused tetracyclic heterocycles in high yields. The amines include 1H-indazol-5-amine, 1H-indazol-6-amine, 1H-indol-5-amine, and 1H-benzo[d]imidazol-5-amine, giving 11-aryl-3H-indazolo[5,4-b][1,6]naphthyridine, 11-aryl-1H-indazolo[6,7-b][1,6]naphthyridine, 11-aryl-3H-indolo[5,4-b][1,6]naph-thyridine, and 11-aryl-3H-imidazo[4',5':3,4]benzo[1,2-b][1,6]naphthyridine derivatives, respectively.