ethyl 1-(2-acetoxyethyl)-6-((methoxymethoxy)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate | 1020068-99-8

• 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: ethyl 1-(2-acetoxyethyl)-6-((methoxymethoxy)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
• CAS: 1020068-99-8
• 化学式: C₁₉H₂₃NO₇
• 分子量: 377.394
• InChiKey: QOIFQVIQUHOQMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  27.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  93.06
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl 1-(2-acetoxyethyl)-6-((methoxymethoxy)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 C₁₈H₂₀ClNO₆
  参考文献：
  名称：

  Synthesis of pyrimidine and quinolone conjugates as a scaffold for dual inhibitors of HIV reverse transcriptase and integrase

  摘要：

  A series of conjugates combining a pyrimidine and a quinolone moiety were designed and synthesized. The assay results show that these compounds demonstrate both anti-RT activity and anti-IN activity and therefore provide a useful scaffold for identifying inhibitors with balanced dual activities. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.01.025
• 作为产物：
  描述：

  ethyl 6-((methoxymethoxy)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 、 2-溴乙基乙酸酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以93%的产率得到ethyl 1-(2-acetoxyethyl)-6-((methoxymethoxy)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
  参考文献：
  名称：

  Synthesis of pyrimidine and quinolone conjugates as a scaffold for dual inhibitors of HIV reverse transcriptase and integrase

  摘要：

  A series of conjugates combining a pyrimidine and a quinolone moiety were designed and synthesized. The assay results show that these compounds demonstrate both anti-RT activity and anti-IN activity and therefore provide a useful scaffold for identifying inhibitors with balanced dual activities. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.01.025