N-ethylpyrene-1-carbothioamide | 1356469-79-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: N-ethylpyrene-1-carbothioamide
• CAS: 1356469-79-8
• 化学式: C₁₉H₁₅NS
• 分子量: 289.401
• InChiKey: ZTGGRGODWSNZJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-ethylpyrene-1-carbothioamide 在 双氧水 、 氯化锆(IV) 作用下， 以 乙醇 、 水 为溶剂， 反应 0.08h， 生成 N-ethylpyrene-1-carboxamide
  参考文献：
  名称：

  Fluorescence Signaling of Zr⁴⁺ by Hydrogen Peroxide Assisted Selective Desulfurization of Thioamide

  摘要：

  Thioamide derivative with a pyrene fluorophore was smoothly transformed to its corresponding amide by Zr4+ ions in the presence of hydrogen peroxide. The transformation was evidenced by H-1 NMR spectroscopy and the signaling was completed within 10 min after sample preparation. Interference from Ag+ and Hg2+ ions in Zr4+-selective fluorescence signaling was readily suppressed with the use of Sn2+ as a reducing additive. Discrimination of Zr4+ from closely related hafnium, which is a frequent contaminant in commercial zirconium, was not possible. Prominent Zr4+-selective turn-on type fluorescence signaling was possible with a detection limit of 4.6 X 10(-6) M in an aqueous 99% ethanol solution.

  DOI：

  10.1021/ic2019428
• 作为产物：
  描述：

  N-ethylpyrene-1-carboxamide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以73%的产率得到N-ethylpyrene-1-carbothioamide
  参考文献：
  名称：

  Fluorescence Signaling of Zr⁴⁺ by Hydrogen Peroxide Assisted Selective Desulfurization of Thioamide

  摘要：

  Thioamide derivative with a pyrene fluorophore was smoothly transformed to its corresponding amide by Zr4+ ions in the presence of hydrogen peroxide. The transformation was evidenced by H-1 NMR spectroscopy and the signaling was completed within 10 min after sample preparation. Interference from Ag+ and Hg2+ ions in Zr4+-selective fluorescence signaling was readily suppressed with the use of Sn2+ as a reducing additive. Discrimination of Zr4+ from closely related hafnium, which is a frequent contaminant in commercial zirconium, was not possible. Prominent Zr4+-selective turn-on type fluorescence signaling was possible with a detection limit of 4.6 X 10(-6) M in an aqueous 99% ethanol solution.

  DOI：

  10.1021/ic2019428

文献信息

• Fluorescence Signaling of Zr⁴⁺ by Hydrogen Peroxide Assisted Selective Desulfurization of Thioamide
  作者：Jiyoung Hwang、Myung Gil Choi、Suyoung Eor、Suk-Kyu Chang

  DOI：10.1021/ic2019428

  日期：2012.2.6

  Thioamide derivative with a pyrene fluorophore was smoothly transformed to its corresponding amide by Zr4+ ions in the presence of hydrogen peroxide. The transformation was evidenced by H-1 NMR spectroscopy and the signaling was completed within 10 min after sample preparation. Interference from Ag+ and Hg2+ ions in Zr4+-selective fluorescence signaling was readily suppressed with the use of Sn2+ as a reducing additive. Discrimination of Zr4+ from closely related hafnium, which is a frequent contaminant in commercial zirconium, was not possible. Prominent Zr4+-selective turn-on type fluorescence signaling was possible with a detection limit of 4.6 X 10(-6) M in an aqueous 99% ethanol solution.