4-(1-ethyl-1,2-dihydro-4-hydroxy-2-oxoquinolin-3-yl)-5-nitropyrimidin-2-ylcyanamide | 1424273-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(1-ethyl-1,2-dihydro-4-hydroxy-2-oxoquinolin-3-yl)-5-nitropyrimidin-2-ylcyanamide
• 英文别名: [4-(1-Ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitropyrimidin-2-yl]cyanamide；[4-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-5-nitropyrimidin-2-yl]cyanamide
• CAS: 1424273-05-1
• 化学式: C₁₆H₁₂N₆O₄
• 分子量: 352.309
• InChiKey: WMUNKAYPPJMLIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-ethyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione 在 硝酸 、 溶剂黄146 、 sodium hydroxide 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-(1-ethyl-1,2-dihydro-4-hydroxy-2-oxoquinolin-3-yl)-5-nitropyrimidin-2-ylcyanamide
  参考文献：
  名称：

  6-Ethyl-3-nitropyrano[3,2-c]quinoline-4,5(6H)-dione合成一些新型双核杂环化合物

  摘要：

  6-Ethyl-3-nitropyrano[3,2-c]quinoline-4,5(6H)-dione (4) was synthesized and its reactivity towards some 1,2-, 1,3-, and 1,4-binucleophiles was investigated. Ring transformation via opening of the gamma-pyrone ring and heterocyclizations through out these reactions led to certain interesting five, six, and seven-membered heterocyclic substituents, viz. pyrazolyl, pyridyl, pyrimidyl, diazepinyl, and thiazepinyl at position-3 of quinolin-2-one moiety.

  DOI：

  10.3987/com-12-12639

文献信息

• Synthesis of Some Novel Binuclear Heterocyclic Compounds from 6-Ethyl-3-nitropyrano[3,2-c]quinoline-4,5(6H)-dione
  作者：Hany M. Hassanin、Dalia Abdel-Kader

  DOI：10.3987/com-12-12639

  日期：——

  6-Ethyl-3-nitropyrano[3,2-c]quinoline-4,5(6H)-dione (4) was synthesized and its reactivity towards some 1,2-, 1,3-, and 1,4-binucleophiles was investigated. Ring transformation via opening of the gamma-pyrone ring and heterocyclizations through out these reactions led to certain interesting five, six, and seven-membered heterocyclic substituents, viz. pyrazolyl, pyridyl, pyrimidyl, diazepinyl, and thiazepinyl at position-3 of quinolin-2-one moiety.