(2-aminophenyl)(azetidin-1-yl)methanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-aminophenyl)(azetidin-1-yl)methanone
• 英文别名: (2-aminophenyl)-(azetidin-1-yl)methanone
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: MUCXBROUJOYECW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2-aminophenyl)(azetidin-1-yl)methanone 以 二氯甲烷 、 乙腈 为溶剂， 反应 2.0h， 生成 (E)-N-(3-(morpholinoimino)propyl)benzamide
  参考文献：
  名称：

  Redox-Neutral α-Amino C–H Functionalization: When the Catalyst Is Also the Nucleophile

  摘要：

  A redox-neutral functionalization of cyclic amines that leads to acyclic products is presented. The reaction hinges on generation of transient aryl radical intermediates by catalytic activation with a simple hydrazine. Those aryl radicals subsequently undergo translocation and further oxidation prior to trapping with the same hydrazine, thus resulting in an overall process where the catalyst unusually also acts as the nucleophile.

  DOI：

  10.1021/acs.orglett.5b03431
• 作为产物：
  描述：

  杂氮环丁烷 、 靛红酸酐 在 4-二甲氨基吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以77%的产率得到(2-aminophenyl)(azetidin-1-yl)methanone
  参考文献：
  名称：

  Redox-Neutral α-Amino C–H Functionalization: When the Catalyst Is Also the Nucleophile

  摘要：

  A redox-neutral functionalization of cyclic amines that leads to acyclic products is presented. The reaction hinges on generation of transient aryl radical intermediates by catalytic activation with a simple hydrazine. Those aryl radicals subsequently undergo translocation and further oxidation prior to trapping with the same hydrazine, thus resulting in an overall process where the catalyst unusually also acts as the nucleophile.

  DOI：

  10.1021/acs.orglett.5b03431