N'-(4-Chloro-5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-N,N-diethyl-propane-1,3-diamine | 213604-84-3

• 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: N'-(4-Chloro-5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-N,N-diethyl-propane-1,3-diamine
• 英文别名: N-(4-chloro-5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-N',N'-diethylpropane-1,3-diamine
• CAS: 213604-84-3
• 化学式: C₂₂H₂₆ClN₅
• 分子量: 395.935
• InChiKey: NGIKPPLVXLQCFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  56.84
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N'-(4-Chloro-5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-N,N-diethyl-propane-1,3-diamine 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 以88%的产率得到N,N-Diethyl-N'-(5-methyl-6H-pyridazino[4,5-b]carbazol-1-yl)-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：

  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-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

文献信息

• Synthesis of Pyridazino[4,5-b]carbazoles as Potential Antitumor Agents
  作者：Norbert Haider、Rami Jbara、Forouzandeh Khadami、Richard Wanko

  DOI：10.3987/com-98-8217

  日期：——

  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.