9-Methoxy-5-methyl-2,3-dihydro-6H-pyridazino[4,5-b]carbazole-1,4-dione | 213604-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-Methoxy-5-methyl-2,3-dihydro-6H-pyridazino[4,5-b]carbazole-1,4-dione
• 英文别名: 9-methoxy-5-methyl-3,6-dihydro-2H-pyridazino[4,5-b]carbazole-1,4-dione
• CAS: 213604-82-1
• 化学式: C₁₆H₁₃N₃O₃
• 分子量: 295.298
• InChiKey: XUZJMKALRIQCGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-Methoxy-5-methyl-2,3-dihydro-6H-pyridazino[4,5-b]carbazole-1,4-dione 在 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.5h， 生成 N'-(4-Chloro-9-methoxy-5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-N,N-diethyl-propane-1,3-diamine
  参考文献：
  名称：

  Synthesis of Pyridazino[4,5-b]carbazoles as Potential Antitumor Agents

  摘要：

  The synthesis of a series of new pyridazino[4,5-b]carbazoles (8, 9, 12-14), representing 3-aza analogs of pyridol [4,3-b]carbazole antitumor agents, is described. The key intermediates, d-fused dichloropyridazines of type 5, were subjected to nucleophilic displacement reactions and/or to reductive dehalogenation.

  DOI：

  10.3987/com-98-8217
• 作为产物：
  描述：

  6-Methoxy-1-methyl-9H-carbazole-2,3-dicarboxylic acid dimethyl ester 在 一水合肼 作用下， 反应 2.0h， 以86%的产率得到9-Methoxy-5-methyl-2,3-dihydro-6H-pyridazino[4,5-b]carbazole-1,4-dione
  参考文献：
  名称：

  Synthesis of Pyridazino[4,5-b]carbazoles as Potential Antitumor Agents

  摘要：

  The synthesis of a series of new pyridazino[4,5-b]carbazoles (8, 9, 12-14), representing 3-aza analogs of pyridol [4,3-b]carbazole antitumor agents, is described. The key intermediates, d-fused dichloropyridazines of type 5, were subjected to nucleophilic displacement reactions and/or to reductive dehalogenation.

  DOI：

  10.3987/com-98-8217