1-(4-{[(trifluoromethyl)thio]amino}phenyl)ethanone | 1045821-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-{[(trifluoromethyl)thio]amino}phenyl)ethanone
• 英文别名: 1-[4-(Trifluoromethylsulfanylamino)phenyl]ethanone
• CAS: 1045821-95-1
• 化学式: C₉H₈F₃NOS
• 分子量: 235.23
• InChiKey: STUQOTSXASOHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-{[morpholin-4-yl(trifluoromethyl)-λ4-sulfanylidene]amino}phenyl)ethanone 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以70%的产率得到1-(4-{[(trifluoromethyl)thio]amino}phenyl)ethanone
  参考文献：
  名称：

  Synthesis of Trifluoromethanesulfinamidines and -sulfanylamides

  摘要：

  Fluorinated moieties constitute important substituents used in many applications to modify the properties of molecules. The action of DAST onto Ruppert's rea gent yields to a not isolable intermediate that can then react with various primary amines to give trifluoromethanesulfinamidines and trifluoromethanesulfanylamides. Such compounds were unknown until now and constitute interesting new families of fluorinated molecules.

  DOI：

  10.1021/jo8018544

文献信息

• PROCEDE DE PREPARATION DE SULFANYLAMIDES ET SULFINAMIDINES FLUORES ET LEURS UTILISATIONS
  申请人：Aventis Pharma S.A.

  公开号：EP2114874A2

  公开（公告）日：2009-11-11
• [EN] METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF<br/>[FR] PROCEDE DE PREPARATION DE SULFANYLAMIDES ET SULFINAMIDINES FLUORES ET LEURS UTILISATIONS
  申请人：AVENTIS PHARMA SA

  公开号：WO2008110698A2

  公开（公告）日：2008-09-18

  [EN] The invention relates to a method for preparing new poly-fluorinated sulphanylamides and sulphinamidines and precursors thereof, and to the potential use of such sulphanylamides as potential substitutes for hydrophobic groups or carboxylic groups contained in some bioactive molecules, or as a perfluoroalkylsulphanylation agent.
  [FR] La présente invention concerne un procédé de préparation de nouvelles sulfanylamides et sulfinamidines polyfluorés ainsi que de leurs précurseurs et l'utilisation potentielle de ces sulfanylamides en tant que substituts possibles à des groupes hydrophobes ou à des acides carboxyliques contenus dans certaines molécules bio-actives ou encore en tant qu'agent de perfluoroalkylsulfanylation.
• Synthesis of Trifluoromethanesulfinamidines and -sulfanylamides
  作者：Aurélien Ferry、Thierry Billard、Bernard R. Langlois、Eric Bacqué

  DOI：10.1021/jo8018544

  日期：2008.12.5

  Fluorinated moieties constitute important substituents used in many applications to modify the properties of molecules. The action of DAST onto Ruppert's rea gent yields to a not isolable intermediate that can then react with various primary amines to give trifluoromethanesulfinamidines and trifluoromethanesulfanylamides. Such compounds were unknown until now and constitute interesting new families of fluorinated molecules.