ethyl 6-chloro-2-([([6-chloro-3-(ethoxycarbonyl)-4-phenyl-2-quinolyl]methylamino) carbothioyl]aminomethyl)-4-phenyl-3-quinolinecarboxylate | 1203506-54-0

• 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: ethyl 6-chloro-2-([([6-chloro-3-(ethoxycarbonyl)-4-phenyl-2-quinolyl]methylamino) carbothioyl]aminomethyl)-4-phenyl-3-quinolinecarboxylate
• 英文别名: Ethyl 6-chloro-2-[[(6-chloro-3-ethoxycarbonyl-4-phenylquinolin-2-yl)methylcarbamothioylamino]methyl]-4-phenylquinoline-3-carboxylate
• CAS: 1203506-54-0
• 化学式: C₃₉H₃₂Cl₂N₄O₄S
• 分子量: 723.679
• InChiKey: LOROOOJQWMYPPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl 6-chloro-2-(chloromethyl)-4-phenylquinoline-3-carboxylate 、 硫脲 在 sodium hydride 作用下， 以 乙腈 为溶剂， 以75%的产率得到ethyl 6-chloro-2-([([6-chloro-3-(ethoxycarbonyl)-4-phenyl-2-quinolyl]methylamino) carbothioyl]aminomethyl)-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

文献信息

• Diversity-Oriented Synthesis of Quinolines via Friedländer Annulation Reaction under Mild Catalytic Conditions
  作者：D. Subhas Bose、Mohd. Idrees、N. M. Jakka、J. Venkateswara Rao

  DOI：10.1021/cc900129t

  日期：2010.1.11

  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,