ethyl 2-(2-(((diethylamino)(phenyl)phosphorothioyl)imino)pyrimidin-1(2H)-yl)acetate | 1073054-49-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-(2-(((diethylamino)(phenyl)phosphorothioyl)imino)pyrimidin-1(2H)-yl)acetate
• CAS: 1073054-49-5
• 化学式: C₁₈H₂₅N₄O₂PS
• 分子量: 392.462
• InChiKey: KLBOOXMQOCOVFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  59.72
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  ethyl 2-(2-((chloro(phenyl)phosphorothioyl)imino)pyrimidin-1(2H)-yl)acetate 、 二乙胺 以 二氯甲烷 、 甲苯 为溶剂， 生成 ethyl 2-(2-(((diethylamino)(phenyl)phosphorothioyl)imino)pyrimidin-1(2H)-yl)acetate
  参考文献：
  名称：

  Novel Phosphono-Substituted Pyrimidines: Synthesis and Characterization

  摘要：

  Fourteen novel organothiophosphonates incorporating pyrimidine heterocycles have been synthesized through an economical synthetic strategy. The products were well characterized through different spectral techniques. The (HNMR)-H-1 spectra have shown interesting diastereotopic properties thus, showing chirality in the molecule. The chlorothiophosphonates were the first step products which were further substituted to several other products through nucleophilic substitution reaction. This study has shown unique prospects for synthesis of chiral molecules.

  DOI：

  10.1080/10426500701519435