1-(4-(2-chloro-2-fluoropropyl)piperazin-1-yl)ethan-1-one | 1265340-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(2-chloro-2-fluoropropyl)piperazin-1-yl)ethan-1-one
• 英文别名: 1-(4-(2-chloro-2-fluoro-propyl)-piperazin-1-yl)ethanone；1-[4-(2-Chloro-2-fluoropropyl)piperazin-1-yl]ethanone
• CAS: 1265340-64-4
• 化学式: C₉H₁₆ClFN₂O
• 分子量: 222.69
• InChiKey: ILBKTGHREPAKHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-(2-chloro-2-fluoropropyl)piperazin-1-yl)ethan-1-one 、 间氯过氧苯甲酸 在 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 72.0h， 以77%的产率得到3-chloro-benzoic acid 2-(4-acetyl-piperazin-1-yloxy)-2-fluoro-propyl ester
  参考文献：
  名称：

  Selective Synthesis of gem-Chlorofluorinated Nitrogen-Containing Derivatives after Superelectrophilic Activation in Superacid HF/SbF₅

  摘要：

  The first direct selective synthesis of novel gem-chloro-fluorinated nitrogen-containing building blocks in super-acid is reported. The dramatic role of the chlorine atom on the reaction is shown by in situ NMR experiments and allows the involvement of a novel original superelectrophilic activation process in superacid HF/SbF5 to be postulated.

  DOI：

  10.1021/jo102225w
• 作为产物：
  描述：

  1-(4-(2-chloroallyl)piperazin-1-yl)ethan-1-one 在 氢氟酸 、 五氟化锑 作用下， 反应 0.17h， 以74%的产率得到1-(4-(2-chloro-2-fluoropropyl)piperazin-1-yl)ethan-1-one
  参考文献：
  名称：

  Selective Synthesis of gem-Chlorofluorinated Nitrogen-Containing Derivatives after Superelectrophilic Activation in Superacid HF/SbF₅

  摘要：

  The first direct selective synthesis of novel gem-chloro-fluorinated nitrogen-containing building blocks in super-acid is reported. The dramatic role of the chlorine atom on the reaction is shown by in situ NMR experiments and allows the involvement of a novel original superelectrophilic activation process in superacid HF/SbF5 to be postulated.

  DOI：

  10.1021/jo102225w

文献信息

• WO2024074501A1
  申请人：——

  公开号：——

  公开（公告）日：——
• Selective Synthesis of <i>gem</i>-Chlorofluorinated Nitrogen-Containing Derivatives after Superelectrophilic Activation in Superacid HF/SbF₅
  作者：Fei Liu、Agnès Martin-Mingot、Marie-Paule Jouannetaud、Christian Bachmann、Gilles Frapper、Fabien Zunino、Sébastien Thibaudeau

  DOI：10.1021/jo102225w

  日期：2011.3.4

  The first direct selective synthesis of novel gem-chloro-fluorinated nitrogen-containing building blocks in super-acid is reported. The dramatic role of the chlorine atom on the reaction is shown by in situ NMR experiments and allows the involvement of a novel original superelectrophilic activation process in superacid HF/SbF5 to be postulated.