ethyl 1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2H-quinolizine-3-carboxylate | 1186309-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: ethyl 1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2H-quinolizine-3-carboxylate
• CAS: 1186309-45-4
• 化学式: C₁₈H₂₃NO₄
• 分子量: 317.385
• InChiKey: WHNCWLFPECWILA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  68.01
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-amino-5-(methanesulfonylamino)benzenesulfonamide 、 ethyl 1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2H-quinolizine-3-carboxylate 在 polyphosphoric acid trimethylsilyl ester 作用下， 反应 2.5h， 生成
  参考文献：
  名称：

  HCV NS5B polymerase inhibitors 3: Synthesis and in vitro activity of 3-(1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-4-hydroxy-2H-quinolizin-2-one derivatives

  摘要：

  3-(1,1-Dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-4-hydroxy-2H-quinolizin-2-one derivatives as potential anti-HCV drugs targeting NS5B polymerase have been investigated. Their synthesis, HCV NS5B polymerase inhibition, and replicon activity are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.021
• 作为产物：
  描述：

  diethyl 2-(5,5-dimethyl-2-(pyridin-2-yl)hexanoyl)malonate 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 ethyl 1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2H-quinolizine-3-carboxylate
  参考文献：
  名称：

  HCV NS5B polymerase inhibitors 3: Synthesis and in vitro activity of 3-(1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-4-hydroxy-2H-quinolizin-2-one derivatives

  摘要：

  3-(1,1-Dioxo-2H-[1,2,4]benzothiadiazin-3-yl)-4-hydroxy-2H-quinolizin-2-one derivatives as potential anti-HCV drugs targeting NS5B polymerase have been investigated. Their synthesis, HCV NS5B polymerase inhibition, and replicon activity are discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.021