4-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-oxobutyric acid | 871682-15-4

• 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-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-oxobutyric acid
• CAS: 871682-15-4
• 化学式: C₈H₇FN₂O₅
• 分子量: 230.152
• InChiKey: YHGWJDLZIIVPAZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.82
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109.23
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  丁二酸酐 、 5-氟脲嘧啶 在 4-二甲氨基吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.67h， 以68%的产率得到4-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-oxobutyric acid
  参考文献：
  名称：

  Microwave-And Ultrasound-Assisted Synthesis of Some Acyclonucleobases Based on a Uracil Moiety Using Dmap as Base

  摘要：

  In this study, 1-(bromoalkanoyl)-1H-pyrimidine-2,4-diones, (2,4-dioxo-pyrimidin-1-yl)-oxo-alkanoic acids, and bis(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-alkanones were successfully prepared via electrophilic substitution of uracil and its derivatives. High yields and pure products were obtained when microwave and ultrasound methodologies were used for undertaking the reactions. Importantly, the use of 4-dimethylaminopyridine in the present investigation gave rise to higher conversions of the starting material and afforded facile access to regioselective N-1 products.

  DOI：

  10.1080/15257770.2013.809457