N,N-diethylpyrene-1-carbothioamide | 1262295-77-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N,N-diethylpyrene-1-carbothioamide
• CAS: 1262295-77-1
• 化学式: C₂₁H₁₉NS
• 分子量: 317.455
• InChiKey: DEPBYCFNEJJOMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N-diethylpyrene-1-carbothioamide 在 oxone 作用下， 以 水 、 乙腈 为溶剂， 生成 N,N-diethylpyrene-1-carboxamide
  参考文献：
  名称：

  Fluorescent Signaling of Oxone by Desulfurization of Thioamide

  摘要：

  The chemosignaling of the oxidant Oxone by selective desulfurization of a thioamide was Investigated. Pyrene-thioamide was efficiently converted to its amide analogue by reaction with Oxone, resulting in a pronounced fluorescent turn-on type signaling. Selective signaling of Ozone in aqueous solution was possible in the presence of representative alkali and alkaline earth metal ions, as well as common anions.

  DOI：

  10.1021/ol102550c
• 作为产物：
  描述：

  N,N-diethylpyrene-1-carboxamide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以78%的产率得到N,N-diethylpyrene-1-carbothioamide
  参考文献：
  名称：

  Fluorescent Signaling of Oxone by Desulfurization of Thioamide

  摘要：

  The chemosignaling of the oxidant Oxone by selective desulfurization of a thioamide was Investigated. Pyrene-thioamide was efficiently converted to its amide analogue by reaction with Oxone, resulting in a pronounced fluorescent turn-on type signaling. Selective signaling of Ozone in aqueous solution was possible in the presence of representative alkali and alkaline earth metal ions, as well as common anions.

  DOI：

  10.1021/ol102550c