thiocarbamic acid S-(4-chlorobenzyl) ester | 64917-79-9

• 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: thiocarbamic acid S-(4-chlorobenzyl) ester
• 英文别名: Carbamothioic acid, S-[(4-chlorophenyl)methyl] ester；S-[(4-chlorophenyl)methyl] carbamothioate
• CAS: 64917-79-9
• 化学式: C₈H₈ClNOS
• 分子量: 201.677
• InChiKey: UKFLZZOUOIEVGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  trichlorothioacetic acid S-(4-chlorobenzyl) ester 在 ammonium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以99%的产率得到thiocarbamic acid S-(4-chlorobenzyl) 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

• LI, CHANG GUN;CHANG, HUI SU;PANG, HYO SUK;KIM, JONG HUI, CHEM. AND CHEM. ENG.,(1987) N 5, 18-21
  作者：LI, CHANG GUN、CHANG, HUI SU、PANG, HYO SUK、KIM, JONG HUI

  DOI：——

  日期：——
• US5928997A
  申请人：——

  公开号：US5928997A

  公开（公告）日：1999-07-27
• 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.