N-(1-methylpyrimidin-2(1H)-ylidene)-P-phenylphosphonamidothioic chloride | 1073054-40-6

• 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: N-(1-methylpyrimidin-2(1H)-ylidene)-P-phenylphosphonamidothioic chloride
• CAS: 1073054-40-6
• 化学式: C₁₁H₁₁ClN₃PS
• 分子量: 283.721
• InChiKey: DPYXLPAQOFHEMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  30.18
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-甲基环己胺 、 N-(1-methylpyrimidin-2(1H)-ylidene)-P-phenylphosphonamidothioic chloride 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成
  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
• 作为产物：
  描述：

  在 sulfur 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 48.0h， 生成 N-(1-methylpyrimidin-2(1H)-ylidene)-P-phenylphosphonamidothioic chloride
  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