4-benzyloxy-2-dodecyl-3-methylquinoline | 1270008-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-benzyloxy-2-dodecyl-3-methylquinoline
• CAS: 1270008-44-0
• 化学式: C₂₉H₃₉NO
• 分子量: 417.635
• InChiKey: KCQIBGFOJZFCRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.59
• 重原子数：
  31.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  22.12
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-benzyloxy-2-dodecyl-3-methylquinoline 在 palladium 10% on activated carbon 、 氢气 、 间氯过氧苯甲酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、100.0 kPa 条件下， 反应 1.5h， 生成 2-dodecyl-1-hydroxy-3-methyl-4-quinolon
  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：

  3-oxopentadecanoate 在 正丁基锂 、 sodium hydride 、 对甲苯磺酸 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 二甲基亚砜 、 mineral oil 、 苯 为溶剂， 反应 60.92h， 生成 4-benzyloxy-2-dodecyl-3-methylquinoline
  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