t-butylthiocarbamic acid S-hexyl ester | 534572-37-7

• 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: t-butylthiocarbamic acid S-hexyl ester
• 英文别名: Carbamothioic acid, (1,1-dimethylethyl)-, S-hexyl ester；S-hexyl N-tert-butylcarbamothioate
• CAS: 534572-37-7
• 化学式: C₁₁H₂₃NOS
• 分子量: 217.376
• InChiKey: DJLPQIXYNQCYOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  trichlorothioacetic acid S-hexyl ester 、 叔丁胺 以 甲醇 为溶剂， 反应 24.0h， 以83%的产率得到t-butylthiocarbamic acid S-hexyl ester
  参考文献：
  名称：

  Facile One-Pot Synthesis of S-Alkyl Thiocarbamates

  摘要：

  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.

  DOI：

  10.1021/jo026813i

文献信息

• 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.