7-Methyl-10-nonyl-10H-5-oxa-3,4,10-triaza-dibenzo[a,d]cyclohepten-11-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-Methyl-10-nonyl-10H-5-oxa-3,4,10-triaza-dibenzo[a,d]cyclohepten-11-one
• 英文别名: 9-Methyl-6-nonyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one；9-methyl-6-nonylpyridazino[3,4-b][1,5]benzoxazepin-5-one
• 化学式: C₂₁H₂₇N₃O₂
• 分子量: 353.464
• InChiKey: AOYAAJSXTCUJBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-碘壬烷 在 palladium on activated charcoal 氢氧化钾 、 甲酸铵 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 2.0h， 生成 7-Methyl-10-nonyl-10H-5-oxa-3,4,10-triaza-dibenzo[a,d]cyclohepten-11-one
  参考文献：
  名称：

  Synthesis of Substituted Tri- and Tetracyclic Compounds Bearing a Pyridazine Core and their Biological Evaluation as Antimycobacterial Agents

  摘要：

  Starting from substituted 3,6-dichloropyridazine-4-carboxamides (2, 3) tri- and tetracyclic compounds (4, 5) could be smoothly prepared. Structural modifications of interest with regard to biological activity were performed by N-alkylation and reductive dehalogenation. The new substituted heterocyclic compounds were screened as antimycobacterial agents; the influence of the substitution pattern on activity is discussed.

  DOI：

  10.1002/1521-4184(20007)333:7<231::aid-ardp231>3.0.co;2-1

文献信息

• Synthesis of Substituted Tri- and Tetracyclic Compounds Bearing a Pyridazine Core and their Biological Evaluation as Antimycobacterial Agents
  作者：Gottfried Heinisch、Barbara Matuszczak、Karin Planitzer

  DOI：10.1002/1521-4184(20007)333:7<231::aid-ardp231>3.0.co;2-1

  日期：2000.7

  Starting from substituted 3,6-dichloropyridazine-4-carboxamides (2, 3) tri- and tetracyclic compounds (4, 5) could be smoothly prepared. Structural modifications of interest with regard to biological activity were performed by N-alkylation and reductive dehalogenation. The new substituted heterocyclic compounds were screened as antimycobacterial agents; the influence of the substitution pattern on activity is discussed.