O-(4-chlorophenyl) thiocarbamate | 24641-61-0

• 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-(4-chlorophenyl) thiocarbamate
• 英文别名: O-4-chlorophenyl thiocarbamate；Thiocarbaminsaeure-O-p-chlorphenylester；4-Chlorophenyl thiocarbamate；O-(4-chlorophenyl) carbamothioate
• CAS: 24641-61-0
• 化学式: C₇H₆ClNOS
• 分子量: 187.65
• InChiKey: UMYDJJUPYJIRNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  O-(4-chlorophenyl) thiocarbamate 、 氯羰基亚磺酰氯 以 乙醚 为溶剂， 反应 2.5h， 以72%的产率得到5-(4-chlorophenoxy)-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：

  p-ClC6H4OC(S)F 在 氨 作用下， 以 正己烷 为溶剂， 生成 O-(4-chlorophenyl) thiocarbamate
  参考文献：
  名称：

  Yagupol'skii,L.M.; Kondratenko,N.V., Journal of general chemistry of the USSR, 1969, vol. 39, p. 1719 - 1722

  摘要：

  DOI：

文献信息

• Green and efficient synthesis of thioureas, ureas, primary <i>O</i>-thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea
  作者：Nastaran Bagherzadeh、Ali Reza Sardarian、Iman Dindarloo Inaloo

  DOI：10.1039/d1nj01827b

  日期：——

  developed for the direct preparation of various primary O-thiocarbamates/carbamates as well as monosubstituted thioureas/ureas by using thiourea/urea as biocompatible thiocarbonyl (carbonyl) sources. This procedure used choline chloride/tin(II) chloride [ChCl][SnCl2]2 with a dual role as a green catalyst and reaction medium to afford the desired products in moderate to excellent yields. Moreover, the DES can

  通过使用硫脲/尿素作为生物相容性硫代羰基（羰基）源，开发了一种有效且通用的催化方法，用于直接制备各种伯O-硫代氨基甲酸酯/氨基甲酸酯以及单取代硫脲/脲。该过程使用氯化胆碱/氯化锡 ( II ) [ChCl][SnCl 2 ] 2，具有作为绿色催化剂和反应介质的双重作用，以中等至极好的收率提供所需产物。此外，DES 可以很容易地回收和重复使用七个循环，而其活性没有显着损失。此外，该方法在大规模合成所需产物方面表现出非常好的性能。
• 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)
• Yagupol'skii,L.M.; Kondratenko,N.V., Journal of general chemistry of the USSR, 1969, vol. 39, p. 1719 - 1722
  作者：Yagupol'skii,L.M.、Kondratenko,N.V.

  DOI：——

  日期：——