9-(3,4-dimethoxyphenyl)-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione | 1448168-16-8

• 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: 9-(3,4-dimethoxyphenyl)-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione
• CAS: 1448168-16-8
• 化学式: C₃₂H₄₁NO₆
• 分子量: 535.681
• InChiKey: NRANAKHGNHEXOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.54
• 重原子数：
  39.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  101.93
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  恩贝酸/恩贝灵 、 3-氨基-2-环己烯-1-酮 、 3,4-二甲氧基苯甲醛 以 乙醇 为溶剂， 反应 0.25h， 以82%的产率得到9-(3,4-dimethoxyphenyl)-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione
  参考文献：
  名称：

  Multicomponent Synthesis of Antibacterial Dihydropyridin and Dihydropyran Embelin Derivatives

  摘要：

  A series of dihydropyran and dihydropyridin embelin derivatives were synthesized through a novel and straightforward one-pot protocol based on a three-component reaction with embelin, aldehydes, and cyclic enaminones as synthetic imputs. The type of substituent on the nitrogen atom of the beta-enaminone is key to obtain nitrogenated or oxygenated rings. The obtained compounds were active against Gram-positive bacteria, including multiresistant Staphylococcus aureus clinical isolates.

  DOI：

  10.1021/jo401189x