3,6-dichloro-N-(2-hydroxy-1-naphthyl)-pyridazine-4-carboxamide | 297768-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,6-dichloro-N-(2-hydroxy-1-naphthyl)-pyridazine-4-carboxamide
• CAS: 297768-01-5
• 化学式: C₁₅H₉Cl₂N₃O₂
• 分子量: 334.161
• InChiKey: SEDYZJXWLRBEST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.11
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,6-dichloro-N-(2-hydroxy-1-naphthyl)-pyridazine-4-carboxamide 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.25h， 以96%的产率得到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
• 作为产物：
  描述：

  1-氨基-2-萘酚盐酸盐 、 3,6-二氯哒嗪-4-甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以62%的产率得到3,6-dichloro-N-(2-hydroxy-1-naphthyl)-pyridazine-4-carboxamide
  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