N,N-diethylanthracene-9-carbothioamide | 1391398-26-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: N,N-diethylanthracene-9-carbothioamide
• CAS: 1391398-26-7
• 化学式: C₁₉H₁₉NS
• 分子量: 293.433
• InChiKey: LJUQSOPQIACJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 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-diethylanthracene-9-carbothioamide 在 过氧乙酸 作用下， 以 乙腈 为溶剂， 生成 N,N-diethylanthracene-9-carboxamide
  参考文献：
  名称：

  Selective signaling of peracetic acid over hydrogen peroxide by desulfurization of an anthracene-thioamide

  摘要：

  Selective signaling of peracetic acid by desulfurization of a thioamide was investigated. A thioamide derivative of anthracene 1 was efficiently desulfurized by peracetic acid to the corresponding amide 2, which resulted in a pronounced turn-on type fluorescent signaling. Signaling was not affected by the presence of another important oxidant hydrogen peroxide thereby providing selective signaling of the peracetic acid from its frequent contaminant hydrogen peroxide. Anthracene-thioamide 1 also provided selectivity for peracetic acid over commonly encountered metal ions and anions. The chemical transformation was confirmed by H-1 NMR, C-13 NMR, and fluorescence measurements. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.101
• 作为产物：
  描述：

  N,N-diethylanthracene-9-carboxamide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以64%的产率得到N,N-diethylanthracene-9-carbothioamide
  参考文献：
  名称：

  Selective signaling of peracetic acid over hydrogen peroxide by desulfurization of an anthracene-thioamide

  摘要：

  Selective signaling of peracetic acid by desulfurization of a thioamide was investigated. A thioamide derivative of anthracene 1 was efficiently desulfurized by peracetic acid to the corresponding amide 2, which resulted in a pronounced turn-on type fluorescent signaling. Signaling was not affected by the presence of another important oxidant hydrogen peroxide thereby providing selective signaling of the peracetic acid from its frequent contaminant hydrogen peroxide. Anthracene-thioamide 1 also provided selectivity for peracetic acid over commonly encountered metal ions and anions. The chemical transformation was confirmed by H-1 NMR, C-13 NMR, and fluorescence measurements. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.101