| 146848-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• CAS: 146848-11-5
• 化学式: C₁₆H₁₈F₃N₈O₄P
• 分子量: 474.339
• InChiKey: PWDMETMAYQTFOP-YTZAIOQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  137.25
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  在 叔丁基过氧化氢 、 水 、 溶剂黄146 作用下， 反应 1.5h， 生成 adenosine 5'-O-trifluoromethylphosphonate
  参考文献：
  名称：

  Trifluoromethylphosphinyl bis-triazolides in the synthesis of trifluoromethylphosphonate analogues of nucleotides

  摘要：

  The bis-triazolide of trifluoromethylphosphinic acid is prepared from trifluoromethylphosphorous dibromide, CF3PBr2, and reacted in situ with alcohols. The resulting triazolomonoesters are efficiently hydrolysed and oxidised to give trifluoromethylphosphonate monoesters, as shown for the nucleotide analogues adenosine 5'-O-trifluoromethylphosphonate and 2'-O-deoxythymidine 3'-O-trifluoromethylphosphonate, novel nucleotside esters having a trifluoromethylphosphoryl function.

  DOI：

  10.1016/s0040-4039(00)60080-1
• 作为产物：
  描述：

  2',3'-异丙叉腺苷 、 trifluoromethylphosphorous bis-triazolide 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Trifluoromethylphosphinyl bis-triazolides in the synthesis of trifluoromethylphosphonate analogues of nucleotides

  摘要：

  The bis-triazolide of trifluoromethylphosphinic acid is prepared from trifluoromethylphosphorous dibromide, CF3PBr2, and reacted in situ with alcohols. The resulting triazolomonoesters are efficiently hydrolysed and oxidised to give trifluoromethylphosphonate monoesters, as shown for the nucleotide analogues adenosine 5'-O-trifluoromethylphosphonate and 2'-O-deoxythymidine 3'-O-trifluoromethylphosphonate, novel nucleotside esters having a trifluoromethylphosphoryl function.

  DOI：

  10.1016/s0040-4039(00)60080-1