10-chloronaphtho[2,1-b]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one | 297768-45-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 10-chloronaphtho[2,1-b]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one
• CAS: 297768-45-7
• 化学式: C₁₅H₈ClN₃O₂
• 分子量: 297.7
• InChiKey: WHOJZBVMEIUTEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.11
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  10-chloronaphtho[2,1-b]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one 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 13-heptylnaphtho[2,1-beta]pyridazino[4,3-f][1,4]oxazepin-12(13H)-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
• 作为产物：
  描述：

  3,6-二氯哒嗪-4-甲酰氯 在 sodium hydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 1.25h， 生成 10-chloronaphtho[2,1-b]pyridazino[4,3-f][1,4]oxazepin-12(13H)-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