(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-6-chloro-2-methyl-4-phenyl-3-quinolinecarboxylate | 1203506-48-2

• 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: (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-6-chloro-2-methyl-4-phenyl-3-quinolinecarboxylate
• 英文别名: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
• CAS: 1203506-48-2
• 化学式: C₂₇H₃₀ClNO₂
• 分子量: 435.994
• InChiKey: SDACNOFVWSPLDE-QATBIIFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-5-氯二苯甲酮 、 3-氧代丁酸 (1R,2S,5R)-5-甲基-2-(1-甲基乙基)环己基酯 在 ammonium cerium (IV) nitrate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-6-chloro-2-methyl-4-phenyl-3-quinolinecarboxylate
  参考文献：
  名称：

  Diversity-Oriented Synthesis of Quinolines via Friedländer Annulation Reaction under Mild Catalytic Conditions

  摘要：

  An efficient and practical method has been manifested for the diversity-oriented synthesis of quinolines via Friedlander annulation reaction for the generation of a wide range of structurally interesting and pharmacologically significant compounds by using ceric ammonium nitrate as a catalyst (10 mol %) at ambient temperature in 45 min. A variety of functional groups are introduced at various positions of the quinoline moiety, and further the diversity of the core skeleton was expanded at R-1 and R-2 positions by the synthesis of various hybrids. Initial screening of the compounds for cytotoxicity against a series of cancer cell lines showed promising results,

  DOI：

  10.1021/cc900129t