methyl 2-(2-((bis(diphenylamino)phosphorothioyl)imino)pyridin-1(2H)-yl)acetate | 1154738-18-7

• 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: methyl 2-(2-((bis(diphenylamino)phosphorothioyl)imino)pyridin-1(2H)-yl)acetate
• CAS: 1154738-18-7
• 化学式: C₃₂H₂₉N₄O₂PS
• 分子量: 564.648
• InChiKey: YLYPKXMHHBAYKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.46
• 重原子数：
  40.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  50.07
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  methyl 2-(2-((dichlorophosphorothioyl)imino)pyridin-1(2H)-yl)acetate 、 二苯胺 以 二氯甲烷 为溶剂， 生成 methyl 2-(2-((bis(diphenylamino)phosphorothioyl)imino)pyridin-1(2H)-yl)acetate
  参考文献：
  名称：

  Biodynamic Organothiophosphates of Pyridine: Synthesis and Bioactivity

  摘要：

  The biological importance and practical significance of thiophosphates and pyridine nucleus prompted us to synthesize organothiophosphate of pyridine. In this regard, we have synthesized new series of such derivatives adopting the synthetic methodology, which we have evolved in our laboratory using cycloiminium derivatives of pyridine as starting material and PCl(3) as phosphorylating agent. These representatives were also tested for their insecticidal activity against a notorious polyphagus insect Helicoverpa armigera.

  DOI：

  10.1080/10426500701641098