O-isobutyl (4-hydroxyphenyl)thiocarbamate | 1337925-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: O-isobutyl (4-hydroxyphenyl)thiocarbamate
• CAS: 1337925-19-5
• 化学式: C₁₁H₁₅NO₂S
• 分子量: 225.312
• InChiKey: YDRIYOXZGXPFIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.49
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  sodium 2-((isobutoxycarbonothioyl)thio)acetate 、 对氨基苯酚 在 乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以61%的产率得到O-isobutyl (4-hydroxyphenyl)thiocarbamate
  参考文献：
  名称：

  Synthesis of N-(3- and 4-substituted phenyl)-O-isobutyl thionocarbamates from O-isobutyl xanthate and amines using a nano-platinum multi-walled carbon nanotube catalyst

  摘要：

  Twelve N-(3- and 4-substituted phenyl)-O-isobutyl thionocarbamates, eight of which are novel, were synthesized from O-isobutyl xanthate and 3- and 4-substituted anilines in the presence of a nano-platinum aminophenyl modified multi-walled carbon nanotube catalyst. The nano-Pt catalyst was prepared on a carbon nanotube support modified by diazotization, nitro group reduction, and subsequent microwave-assisted nano-Pt precipitation. The catalyst was characterized by Fourier transform infrared (FT-IR) spectroscopy, elemental analysis, thermogravimetric analysis, and transmission electron microscopy. The nano-platinum/modified carbon nanotube catalyst was compared with a commercial Pt/active carbon catalyst in terms of product purity and yield. The results obtained by the use of the catalysts were additionally compared with those obtained by reaction of sodium isobutyl xanthogenacetate and 3- and 4-substituted anilines. Full structure characterization of the synthesized N-(substituted phenyl)-O-isobutyl thionocarbamates was achieved using FT-IR, H-1 and C-13 NMR, and mass spectrometric methods, and their purity was proved by elemental analysis and gas chromatography. The new catalytic method offers advantages over the commercial method, such as higher yields and no product purification is required, thus conforming to the principles of ecologically friendly syntheses.

  DOI：

  10.1007/s00706-011-0568-5