S-(5-(2,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-5-oxopentan-2-yl) O-ethyl carbonodithioate | 1246016-72-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(5-(2,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-5-oxopentan-2-yl) O-ethyl carbonodithioate
• 英文别名: O-ethyl [5-(2,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-5-oxopentan-2-yl]sulfanylmethanethioate
• CAS: 1246016-72-7
• 化学式: C₂₂H₂₄F₂O₄S₂
• 分子量: 454.559
• InChiKey: YVHBNBWOEDCHBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  S-(5-(2,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-5-oxopentan-2-yl) O-ethyl carbonodithioate 在 potassium carbonate 作用下， 以 乙腈 、 叔丁醇 为溶剂， 反应 3.5h， 以92%的产率得到2-(2,3-dimethoxybenzyl)-7-fluoro-2,3-dihydro-thieno[2,3-b]thiochromen-4-one
  参考文献：
  名称：

  A divergent approach to highly substituted benzothiepinones and to 2,3-dihydrothieno[2,3-b]thiopyran-4-ones

  摘要：

  The radical addition-transfer of S-(2-fluoro-phenacyl)xanthates can be used to construct rapidly benzothiepinones, including libraries of complex aza-bridged derivatives, and highly functionalized 2,3-dihydrothieno[2,3-b]thiopyran-4-ones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.06.006
• 作为产物：
  描述：

  1-烯丙基-2,3-二甲氧基苯 、 dithiocarbonic acid S-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl] ester O-ethyl ester 在 过氧化双月桂酰 作用下， 以 乙酸乙酯 为溶剂， 以80%的产率得到S-(5-(2,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-5-oxopentan-2-yl) O-ethyl carbonodithioate
  参考文献：
  名称：

  A divergent approach to highly substituted benzothiepinones and to 2,3-dihydrothieno[2,3-b]thiopyran-4-ones

  摘要：

  The radical addition-transfer of S-(2-fluoro-phenacyl)xanthates can be used to construct rapidly benzothiepinones, including libraries of complex aza-bridged derivatives, and highly functionalized 2,3-dihydrothieno[2,3-b]thiopyran-4-ones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.06.006

文献信息

• A divergent approach to highly substituted benzothiepinones and to 2,3-dihydrothieno[2,3-b]thiopyran-4-ones
  作者：Peter Boutillier、Béatrice Quiclet-Sire、Syeda Nahid Zafar、Samir Z. Zard

  DOI：10.1016/j.tetasy.2010.06.006

  日期：2010.7

  The radical addition-transfer of S-(2-fluoro-phenacyl)xanthates can be used to construct rapidly benzothiepinones, including libraries of complex aza-bridged derivatives, and highly functionalized 2,3-dihydrothieno[2,3-b]thiopyran-4-ones. (C) 2010 Elsevier Ltd. All rights reserved.