diethylthiocarbamic acid S-hexyl ester | 534572-39-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代羰基化合物
• 英文名称: diethylthiocarbamic acid S-hexyl ester
• 英文别名: Carbamothioic acid, diethyl-, S-hexyl ester；S-hexyl N,N-diethylcarbamothioate
• CAS: 534572-39-9
• 化学式: C₁₁H₂₃NOS
• 分子量: 217.376
• InChiKey: LKFOJRBBQYSVFK-UHFFFAOYSA-N

物化性质

• 沸点：
  290.5±23.0 °C(Predicted)
• 密度：
  0.951±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-己硫醇 、 N,N-二乙基-2,2,2-三氯-乙酰胺 以 四氢呋喃 为溶剂， 反应 4.25h， 以59%的产率得到diethylthiocarbamic acid S-hexyl ester
  参考文献：
  名称：

  Synthesis of S-alkyl and S-aryl thiocarbamates, one-pot two-step general synthesis

  摘要：

  一种制备S-烷基和S-芳基硫代氨基甲酸酯的方法，包括将前体硫醇试剂与三氯乙酰氯反应，生成S-烷基和S-芳基三氯乙酰硫酯中间体，然后与胺反应，得到相应的硫代氨基甲酸酯产物。还公开了一种制备S-烷基和S-芳基硫代氨基甲酸酯的方法，包括将胺与三氯乙酰氯反应，生成三氯乙酰胺中间体，然后与前体硫醇反应，得到相应的硫代氨基甲酸酯产物。

  公开号：

  US06686494B1

文献信息

• Synthesis of S-alkyl and S-aryl thiocarbamates, one-pot two-step general synthesis
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US06686494B1

  公开（公告）日：2004-02-03

  A method for preparing S-alkyl and S-aryl thiocarbamates comprising reacting a precursor thiol reagent with trichloroacetyl chloride to produce an S-alkyl and S-aryl trichloroacetyl thioester intermediate, which is reacted with an amine to yield the corresponding thiocarbamate product. Also disclosed is the method for preparing S-alkyl and S-aryl thiocarbamates comprising reacting an amine with trichloroacetyl chloride to produce a trichloroacetamide intermediate, which is then reacted with the precursor thiol to yield the corresponding thiocarbamate product.

  一种制备S-烷基和S-芳基硫代氨基甲酸酯的方法，包括将前体硫醇试剂与三氯乙酰氯反应，生成S-烷基和S-芳基三氯乙酰硫酯中间体，然后与胺反应，得到相应的硫代氨基甲酸酯产物。还公开了一种制备S-烷基和S-芳基硫代氨基甲酸酯的方法，包括将胺与三氯乙酰氯反应，生成三氯乙酰胺中间体，然后与前体硫醇反应，得到相应的硫代氨基甲酸酯产物。
• US6686494B1
  申请人：——

  公开号：US6686494B1

  公开（公告）日：2004-02-03
• [EN] SYNTHESIS OF S-ALKYL AND S-ARYL THIOCARBAMATES, ONE-POT TWO-STEP GENERAL SYNTHESIS<br/>[FR] SYNTHESE DE S-ALKYL ET S-ARYL THIOCARBAMATES, SYNTHESE GENERALE EN ENCEINTE UNIQUE, EN DEUX ETAPES
  申请人：US NAVY

  公开号：WO2004080938A1

  公开（公告）日：2004-09-23

  A method for preparing S-alkyl and S-aryl thiocarbamates comprising reacting a precursor thiol reagent with trichloroacetyl chloride to produce an S-alkyl and S-aryl trichloroacetyl thioester intermediate, which is reacted with an amine to yield the corresponding thiocarbamate product. Also disclosed is the method for preparing S-alkyl and S-aryl thiocarbamates comprising reacting an amine with trichloroacetyl chloride to produce a trichloroacetamide intermediate, which is then reacted with the precursor thiol to yield the corresponding thiocarbamate product.
• Facile One-Pot Synthesis of <i>S</i>-Alkyl Thiocarbamates
  作者：James H. Wynne、Samuel D. Jensen、Arthur W. Snow

  DOI：10.1021/jo026813i

  日期：2003.5.1

  We report a novel one-pot two-step synthesis of a variety of S-alkyl thiocarbamates. This method offers a two-directional approach making use of trichloroacetyl chloride, requires no complex starting material, incorporates a variety of substituents, and proceeds in high yields.