4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate | 1345959-46-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate
• CAS: 1345959-46-7
• 化学式: CF₃O₃S*C₁₆H₁₇N₂O₃
• 分子量: 434.393
• InChiKey: LLHNCVPWUICMRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116.48
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate 在 tris(2,2'-bipyridyl)ruthenium dichloride 、 维生素 C 作用下， 以 氘代甲醇 为溶剂， 反应 4.0h， 以93%的产率得到4-氨基苯乙酮
  参考文献：
  名称：

  Photorelease of Primary Aliphatic and Aromatic Amines by Visible-Light-Induced Electron Transfer

  摘要：

  Visible-light-absorbing tris(bipyridyl)ruthenium(II) has been used to mediate electron transfer to N-methylpicolinium carbamates that undergo C-O bond fragmentation followed by spontaneous carbon dioxide release to give free amines. Release of several aliphatic and aromatic primary amines has been demonstrated under mild conditions using visible light.

  DOI：

  10.1021/ol202456d
• 作为产物：
  描述：

  4-吡啶甲醇 以 甲醇 、 乙腈 为溶剂， 反应 5.0h， 生成 4-((4-ethanoylphenylcarbamoyloxy)methyl)-1-methylpyridinium trifluoromethanesulfonate
  参考文献：
  名称：

  Photorelease of Primary Aliphatic and Aromatic Amines by Visible-Light-Induced Electron Transfer

  摘要：

  Visible-light-absorbing tris(bipyridyl)ruthenium(II) has been used to mediate electron transfer to N-methylpicolinium carbamates that undergo C-O bond fragmentation followed by spontaneous carbon dioxide release to give free amines. Release of several aliphatic and aromatic primary amines has been demonstrated under mild conditions using visible light.

  DOI：

  10.1021/ol202456d