Ethyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | 415944-71-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
• 英文别名: ethyl 2-methyl-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS: 415944-71-7
• 化学式: C₁₇H₁₉NO₃S
• 分子量: 317.409
• InChiKey: ZVZCTQCKGUXPFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-噻吩甲醛 、 乙酰乙酸乙酯 、 1,3-环己二酮 在 Cu(OTf)2 、 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以92%的产率得到Ethyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
  参考文献：
  名称：

  Microwave-Assisted Copper(II)-Catalyzed One-Pot Four-Component Synthesis of Multifunctionalized Dihydropyridines

  摘要：

  A fast and highly efficient copper-catalyzed multicomponent synthesis of 1,4-dihydropyridines under microwave irradiation is described. The protocol utilizes mild reaction conditions with low catalytic loading, leading to high yields. This methodology provides us with biologically active 1,4-dihydropyridine library for medicinal chemistry applications.

  DOI：

  10.1021/cc100060s

文献信息

• SUBSTITUTED HETEROCYCLIC COMPOUNDS
  申请人：Abelman Matthew

  公开号：US20090012103A1

  公开（公告）日：2009-01-08

  The present invention relates to novel heterocyclic compounds and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula (I): wherein Q1, Q2, R2, R3, R4, R5, and R6 are as described herein. The invention also relates to methods for the preparation of the compounds, and to pharmaceutical compositions containing such compounds.

  本发明涉及新颖的杂环化合物及其在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。在特定实施例中，化合物的结构由公式（I）给出：其中Q1、Q2、R2、R3、R4、R5和R6如本文所述。该发明还涉及制备这些化合物的方法，以及含有这些化合物的药物组合物。
• US8716319B2
  申请人：——

  公开号：US8716319B2

  公开（公告）日：2014-05-06
• US9045428B2
  申请人：——

  公开号：US9045428B2

  公开（公告）日：2015-06-02
• Microwave-Assisted Copper(II)-Catalyzed One-Pot Four-Component Synthesis of Multifunctionalized Dihydropyridines
  作者：Kalyan Kumar Pasunooti、Chantel Nixon Jensen、Hua Chai、Min Li Leow、Da-Wei Zhang、Xue-Wei Liu

  DOI：10.1021/cc100060s

  日期：2010.7.12

  A fast and highly efficient copper-catalyzed multicomponent synthesis of 1,4-dihydropyridines under microwave irradiation is described. The protocol utilizes mild reaction conditions with low catalytic loading, leading to high yields. This methodology provides us with biologically active 1,4-dihydropyridine library for medicinal chemistry applications.