3,6-Dimethyl-5-morpholino-1H-indazol-4,7-dion | 59106-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6-Dimethyl-5-morpholino-1H-indazol-4,7-dion
• 英文别名: 3,6-dimethyl-5-morpholin-4-yl-1(2)H-indazole-4,7-dione；1H-Indazole-4,7-dione, 3,6-dimethyl-5-(4-morpholinyl)-；3,6-dimethyl-5-morpholin-4-yl-2H-indazole-4,7-dione
• CAS: 59106-12-6
• 化学式: C₁₃H₁₅N₃O₃
• 分子量: 261.28
• InChiKey: WRLJERKMRHNCMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Acetyl-5-methyl-3-pyrrolidino-1,4-benzochinon-tosylhydrazon 以 氯仿 为溶剂， 生成 3,6-Dimethyl-5-morpholino-1H-indazol-4,7-dion
  参考文献：
  名称：

  Reactions of acyl-aminoquinone tosylhydrazones. III. A simple synthesis of 7-substituted pyrrolo[1,2-a]indoloquinones and related compounds.

  摘要：

  Thermolysis of 2-acetyl-3, 6-diamino-5-methyl-1, 4-benzoquinone tosylhydrazones (2a-c) prepared by the reactions of monoaminoquinone tosylhydrazones (1a-c) with the corresponding amines gave 5-hydroxyindoloquinones (5a, b) and related compounds. In the case of 2-acetyl-5-methyl-6-morpholino-3-pyrrolidino-1, 4-benzoquinone tosylhydrazone (2e), 7-morpholino-(4e) and 7-hydroxypyrrolo [1, 2-α] indoloquinone (5a) were obtained. The mechanism of this reaction, which afforded new indoloquinone ring systems, was investigated.

  DOI：

  10.1248/cpb.25.543