4-benzyloxy-6-[2-(dimethylamino)ethoxy]-3-dodecyl-2-methylquinoline N,N'-dioxide | 1270008-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-benzyloxy-6-[2-(dimethylamino)ethoxy]-3-dodecyl-2-methylquinoline N,N'-dioxide
• CAS: 1270008-51-9
• 化学式: C₃₃H₄₈N₂O₄
• 分子量: 536.755
• InChiKey: KSMGSAMFTXFWTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.78
• 重原子数：
  39.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  68.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-benzyloxy-6-[2-(dimethylamino)ethoxy]-3-dodecyl-2-methylquinoline N,N'-dioxide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 1.5h， 以89%的产率得到6-[2-(dimethylamino)ethoxy]-3-dodecyl-1-hydroxy-2-methyl-4-quinolone
  参考文献：
  名称：

  Synthesis of Novel 1-Hydroxyquinolones with High Anti-Toxoplasma Activity

  摘要：

  All for the treatment of malaria and toxoplasmosis the novel hydroxyquinolones 2-5 were prepared by reaction of aniline and hydroxyaniline, respectively and the beta-ketoesters 10a-c. As products the quinolones 8 and 15, respectively were obtained. Benzylation, oxidation and hydrogenation then led to the desired substances. Compound 2 has a similar anti-malaria activity as the approved drug Atovaquone.

  DOI：

  10.3987/com-10-s(e)9
• 作为产物：
  描述：

  4-benzyloxy-6-[2-(dimethylamino)ethoxy]-3-dodecyl-2-methylquinoline 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以80%的产率得到4-benzyloxy-6-[2-(dimethylamino)ethoxy]-3-dodecyl-2-methylquinoline N,N'-dioxide
  参考文献：
  名称：

  Synthesis of Novel 1-Hydroxyquinolones with High Anti-Toxoplasma Activity

  摘要：

  All for the treatment of malaria and toxoplasmosis the novel hydroxyquinolones 2-5 were prepared by reaction of aniline and hydroxyaniline, respectively and the beta-ketoesters 10a-c. As products the quinolones 8 and 15, respectively were obtained. Benzylation, oxidation and hydrogenation then led to the desired substances. Compound 2 has a similar anti-malaria activity as the approved drug Atovaquone.

  DOI：

  10.3987/com-10-s(e)9