10-chloro-13-heptylnaphtho[2,1-beta]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one | 297768-26-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 10-chloro-13-heptylnaphtho[2,1-beta]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one
• 英文别名: 6-chloro-10-heptyl-2-oxa-4,5,10-triazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-9-one
• CAS: 297768-26-4
• 化学式: C₂₂H₂₂ClN₃O₂
• 分子量: 395.889
• InChiKey: IUZDRUOKPIMSEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  10-chloro-13-heptylnaphtho[2,1-beta]pyridazino[4,3-f][1,4]oxazepin-12(13H)-one 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以39%的产率得到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：

  1-氨基-2-萘酚盐酸盐 在 氢氧化钾 、 sodium hydride 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 2.75h， 生成 10-chloro-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

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.