S-[3-chloro-4,4,4-trifluoro-1-(2-oxo-pyrrolidin-1-yl)-butyl]-O-ethyl dithiocarbonate | 845523-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: S-[3-chloro-4,4,4-trifluoro-1-(2-oxo-pyrrolidin-1-yl)-butyl]-O-ethyl dithiocarbonate
• 英文别名: 1-[1-(Ethoxycarbonothioylthio)-3-chloro-4,4,4-trifluorobutyl]pyrrolidine-2-one；O-ethyl [3-chloro-4,4,4-trifluoro-1-(2-oxopyrrolidin-1-yl)butyl]sulfanylmethanethioate
• CAS: 845523-67-3
• 化学式: C₁₁H₁₅ClF₃NO₂S₂
• 分子量: 349.826
• InChiKey: SEAMZRNHQPXHFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  S-[3-chloro-4,4,4-trifluoro-1-(2-oxo-pyrrolidin-1-yl)-butyl]-O-ethyl dithiocarbonate 以 氯苯 为溶剂， 以100%的产率得到1-[(E)-3-chloro-4,4,4-trifluorobut-1-enyl]pyrrolidin-2-one
  参考文献：
  名称：

  A direct approach to α-hydroxy and α-chloro trifluoromethyl derivatives

  摘要：

  S-1-Acyloxy-2,2,2-trifluoroethyl and S-1-chloro-2,2,2-trifluoroethyl dithiocarbonates add efficiently to various functionalised olefins to give the corresponding adducts via a radical chain reaction initiated by a small amount of lauroyl peroxide. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.086
• 作为产物：
  描述：

  S-(1-hydroxy-2,2,2-trifluoro-ethyl)-O-ethyl dithiocarbonate 在 过氧化双月桂酰 、 五氯化磷 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 S-[3-chloro-4,4,4-trifluoro-1-(2-oxo-pyrrolidin-1-yl)-butyl]-O-ethyl dithiocarbonate
  参考文献：
  名称：

  A direct approach to α-hydroxy and α-chloro trifluoromethyl derivatives

  摘要：

  S-1-Acyloxy-2,2,2-trifluoroethyl and S-1-chloro-2,2,2-trifluoroethyl dithiocarbonates add efficiently to various functionalised olefins to give the corresponding adducts via a radical chain reaction initiated by a small amount of lauroyl peroxide. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.086

文献信息

• Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines
  申请人：Zard Samir

  公开号：US20060122404A1

  公开（公告）日：2006-06-08

  The invention relates to compounds having the general formula (I), the method of preparation thereof and the use thereof in organic radical synthesis. The invention also relates to compounds having the formula (II), the method of preparation thereof and a method for preparing compounds having the formula (VIII).

  该发明涉及具有通式（I）的化合物，其制备方法及在有机自由基合成中的用途。该发明还涉及具有通式（II）的化合物，其制备方法以及制备具有通式（VIII）的化合物的方法。
• NOUVEAUX COMPOSES COMPRENANT UN GROUPEMENT THIOCARBONYLSULFANYLE UTILES POUR LA SYNTHESE DE COMPOSES ALPHA-PERFLUOROALKYLAMINES PAR VOIE RADICALAIRE
  申请人：Centre National de la Recherche Scientifique

  公开号：EP1539688B1

  公开（公告）日：2016-08-10
• NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINE COMPOUNDS
  申请人：Zard Samir

  公开号：US20080306281A1

  公开（公告）日：2008-12-11

  The invention relates to compounds having the general formula (I), the method of preparation thereof and the use thereof in organic radical synthesis. The invention also relates to compounds having the formula (II), the method of preparation thereof and a method for preparing compounds having the formula (VIII).
• US7423161B2
  申请人：——

  公开号：US7423161B2

  公开（公告）日：2008-09-09
• US7820831B2
  申请人：——

  公开号：US7820831B2

  公开（公告）日：2010-10-26