isopropyl N-piperidinyl difluoromethylphosphonamidate | 1314353-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: isopropyl N-piperidinyl difluoromethylphosphonamidate
• 英文别名: 1-(Difluoromethyl-oxido-propan-2-yloxyphosphaniumyl)piperidine；1-(difluoromethyl-oxido-propan-2-yloxyphosphaniumyl)piperidine
• CAS: 1314353-29-1
• 化学式: C₉H₁₈F₂NO₂P
• 分子量: 241.218
• InChiKey: RYOIIFCKHBMIFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  isopropyl N-piperidinyl difluoromethylphosphonamidate 在 甲烷磺酸 、 水 作用下， 以 氘代乙腈 为溶剂， 生成 isopropyl difluoromethylphosphonate
  参考文献：
  名称：

  Access to mixed difluoromethylphosphonates by alkylation of phosphonamidates

  摘要：

  DOI：

  10.1016/j.jfluchem.2022.110017
• 作为产物：
  描述：

  哌啶 、 diisopropyl methylsulfanyldifluoromethylphosphonate 在 叔丁基锂 、 氯化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.75h， 以60%的产率得到isopropyl N-piperidinyl difluoromethylphosphonamidate
  参考文献：
  名称：

  Synthesis of difluoromethylphosphonamidates by direct addition of amine

  摘要：

  The one step synthesis of difluoromethylphosphonamidates from dialkylphosphonates is reported. The addition of lithiated amides onto dialkyl difluoromethylphosphonates afforded the corresponding phosphonamidates, as potential prodrug precursors. The remarkable high stability of these phosphonamidates in acidic medium was studied by P-31 NMR. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.034

文献信息

• Synthesis of difluoromethylphosphonamidates by direct addition of amine
  作者：Lucie Aliouane、Baptiste Rigaud、Emmanuel Pfund、Ludovic Jean、Pierre-Yves Renard、Thierry Lequeux

  DOI：10.1016/j.tetlet.2011.05.034

  日期：2011.7

  The one step synthesis of difluoromethylphosphonamidates from dialkylphosphonates is reported. The addition of lithiated amides onto dialkyl difluoromethylphosphonates afforded the corresponding phosphonamidates, as potential prodrug precursors. The remarkable high stability of these phosphonamidates in acidic medium was studied by P-31 NMR. (C) 2011 Elsevier Ltd. All rights reserved.
• Access to mixed difluoromethylphosphonates by alkylation of phosphonamidates
  作者：Cyril Lebargy、Rémi Legay、Emmanuel Pfund、Thierry Lequeux

  DOI：10.1016/j.jfluchem.2022.110017

  日期：2022.9