<14C>-methylphosphonic difluoride | 103596-72-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: <14C>-methylphosphonic difluoride
• 英文别名: [14C]-methylphosphonic acid difluoride；difluorophosphoryl(114C)methane
• CAS: 103596-72-1
• 化学式: CH₃F₂OP
• 分子量: 101.994
• InChiKey: PQIOSYKVBBWRRI-NJFSPNSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-二甲基-2-丁醇 、 <14C>-methylphosphonic difluoride 在 三乙胺 作用下， 生成 soman
  参考文献：
  名称：

  Retrospective Detection of Exposure to Organophosphorus Anti-Cholinesterases:  Mass Spectrometric Analysis of Phosphylated Human Butyrylcholinesterase

  摘要：

  In this paper a novel and general procedure is presented for detection of organophosphate-inhibited human butyrylcholinesterase (HuBuChE), which is based on electrospray tandem mass spectrometric analysis of phosphylated nonapeptides obtained after pepsin digestion of the enzyme. The utility of this method is exemplified by the positive analysis of serum samples from Japanese victims of the terrorist attack with sarin in the Tokyo subway in 1995.

  DOI：

  10.1021/tx0101806
• 作为产物：
  描述：

  <14C>-methylphosphonic dichloride 在 氢氟酸 作用下， 反应 0.5h， 生成 <14C>-methylphosphonic difluoride
  参考文献：
  名称：

  Synthesis of [14C] Sarin

  摘要：

  介绍了[14C]沙林和相关神经毒剂的合成路线。亚磷酸三乙酯和[14C]甲基碘在 Michaelis-Arbusov 反应中生成甲基膦酸二乙酯，通过水解转化为甲基膦酸。经过氯化和随后的氟化，最终产物与适当的醇反应生成。Copyright © 2003 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jlcr.699

文献信息

• BECHTOLD, W. E.;DAHL, A. R., J. LABELLED COMPOUNDS AND RADIOPHARM., 1985, 22, N 11, 1181-1186
  作者：BECHTOLD, W. E.、DAHL, A. R.

  DOI：——

  日期：——
• Retrospective Detection of Exposure to Organophosphorus Anti-Cholinesterases:  Mass Spectrometric Analysis of Phosphylated Human Butyrylcholinesterase
  作者：A. Fidder、A. G. Hulst、D. Noort、R. de Ruiter、M. J. van der Schans、H. P. Benschop、J. P. Langenberg

  DOI：10.1021/tx0101806

  日期：2002.4.1

  In this paper a novel and general procedure is presented for detection of organophosphate-inhibited human butyrylcholinesterase (HuBuChE), which is based on electrospray tandem mass spectrometric analysis of phosphylated nonapeptides obtained after pepsin digestion of the enzyme. The utility of this method is exemplified by the positive analysis of serum samples from Japanese victims of the terrorist attack with sarin in the Tokyo subway in 1995.
• Synthesis of [14C] Sarin
  作者：Rikard Norlin、G�sta Lindberg

  DOI：10.1002/jlcr.699

  日期：2003.6

  Synthetic routes for the synthesis of [14C] sarin and related nerve agents are described. Triethyl phosphite and [14C] methyl iodide are reacted in the Michaelis–Arbusov reaction to produce diethyl methyl phosphonate which is converted to methylphosphonic acid by hydrolysis. After chlorination and subsequent fluorination the final product is formed by reaction with the appropriate alcohol. Copyright © 2003 John Wiley & Sons, Ltd.

  介绍了[14C]沙林和相关神经毒剂的合成路线。亚磷酸三乙酯和[14C]甲基碘在 Michaelis-Arbusov 反应中生成甲基膦酸二乙酯，通过水解转化为甲基膦酸。经过氯化和随后的氟化，最终产物与适当的醇反应生成。Copyright © 2003 John Wiley & Sons, Ltd. All Rights Reserved.