O-3-trifluoromethylphenyl thiocarbamate | 1352031-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-3-trifluoromethylphenyl thiocarbamate
• 英文别名: O-[3-(trifluoromethyl)phenyl] carbamothioate
• CAS: 1352031-50-5
• 化学式: C₈H₆F₃NOS
• 分子量: 221.203
• InChiKey: CRNUQNOVPWXBTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  O-3-trifluoromethylphenyl thiocarbamate 、 氯羰基亚磺酰氯 以 乙醚 为溶剂， 反应 2.5h， 以57%的产率得到5-(3-trifluoromethylphenoxy)-1,2,4-dithiazole-3-one
  参考文献：
  名称：

  Synthesis and structure of substituted 5-phenoxy-1,2,4-dithiazole-3-ones

  摘要：

  AbstractSeven new substituted 5‐phenoxy‐1,2,4‐dithiazole‐3‐ones were prepared in modest yield (53–76%) from corresponding O‐phenyl thiocarbamates and chlorocarbonylsulfenyl chloride in dry ether at −10 °C. All of the compounds were characterized by NMR and elemental analysis and some of them by X‐ray diffraction. Preliminary kinetic measurements showed that the parent 5‐phenoxy‐1,2,4‐dithiazole‐3‐one is a very efficient sulfurizing agent toward triphenyl phosphite. J. Heterocyclic Chem., (2011)

  DOI：

  10.1002/jhet.717
• 作为产物：
  描述：

  3-Trifluormethyl-phenylcyanat 在 硫化氢 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以4.6 g的产率得到O-3-trifluoromethylphenyl thiocarbamate
  参考文献：
  名称：

  Synthesis and structure of substituted 5-phenoxy-1,2,4-dithiazole-3-ones

  摘要：

  AbstractSeven new substituted 5‐phenoxy‐1,2,4‐dithiazole‐3‐ones were prepared in modest yield (53–76%) from corresponding O‐phenyl thiocarbamates and chlorocarbonylsulfenyl chloride in dry ether at −10 °C. All of the compounds were characterized by NMR and elemental analysis and some of them by X‐ray diffraction. Preliminary kinetic measurements showed that the parent 5‐phenoxy‐1,2,4‐dithiazole‐3‐one is a very efficient sulfurizing agent toward triphenyl phosphite. J. Heterocyclic Chem., (2011)

  DOI：

  10.1002/jhet.717

文献信息

• Synthesis and structure of substituted 5-phenoxy-1,2,4-dithiazole-3-ones
  作者：Oleksandr Ponomarov、Zdeňka Padělková、Jiří Hanusek

  DOI：10.1002/jhet.717

  日期：2011.11

  AbstractSeven new substituted 5‐phenoxy‐1,2,4‐dithiazole‐3‐ones were prepared in modest yield (53–76%) from corresponding O‐phenyl thiocarbamates and chlorocarbonylsulfenyl chloride in dry ether at −10 °C. All of the compounds were characterized by NMR and elemental analysis and some of them by X‐ray diffraction. Preliminary kinetic measurements showed that the parent 5‐phenoxy‐1,2,4‐dithiazole‐3‐one is a very efficient sulfurizing agent toward triphenyl phosphite. J. Heterocyclic Chem., (2011)