1-(4-acetylphenyl)-3-(4-N,N-dimethylaminophenyl)thiourea

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-acetylphenyl)-3-(4-N,N-dimethylaminophenyl)thiourea
• 英文别名: 1-(4-Acetylphenyl)-3-[4-(dimethylamino)phenyl]thiourea
• 化学式: C₁₇H₁₉N₃OS
• 分子量: 313.423
• InChiKey: BHOAKWIPRQBOEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N-二甲基-对苯二胺 在 氨 、 copper(II) sulfate 作用下， 以 水 、 乙腈 为溶剂， 生成 1-(4-acetylphenyl)-3-(4-N,N-dimethylaminophenyl)thiourea
  参考文献：
  名称：

  Fluorescence detection of iodide anion using a donor–acceptor (D–A) thiourea derivative

  摘要：

  1-(4-acetyl-phenyl)-3-(4-N,N-dimethylaminopheny1)-thiourea is synthesized and characterized by NMR, IR, MS and elemental analysis. The probe exhibits the "turn-off" fluorescence response to iodide anion in THF/H2O (v/v = 9/1) pH =7.4 Tris HCl buffer solution, which is attributed to the intramolecular charge transfer (ICT). It is found that the probe has a detection limit of 0.336 p.M. Such interesting results could be further supported by quantum chemical calculation, UV and H-1 NMR titration. Moreover, the probe is applied to determine iodide in powdered milk and urine samples. This experiment shows a good agreement between added and detected concentration of the iodide in real samples. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2014.07.015