2-(2,3-dimethoxybenzyl)-7-fluoro-2,3-dihydro-thieno[2,3-b]thiochromen-4-one | 1246017-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 2-(2,3-dimethoxybenzyl)-7-fluoro-2,3-dihydro-thieno[2,3-b]thiochromen-4-one
• 英文别名: 2-[(2,3-Dimethoxyphenyl)methyl]-7-fluoro-2,3-dihydrothieno[2,3-b]thiochromen-4-one；2-[(2,3-dimethoxyphenyl)methyl]-7-fluoro-2,3-dihydrothieno[2,3-b]thiochromen-4-one
• CAS: 1246017-03-7
• 化学式: C₂₀H₁₇FO₃S₂
• 分子量: 388.484
• InChiKey: AJLLBELBNHFNHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(2,3-dimethoxybenzyl)-7-fluoro-2,3-dihydro-thieno[2,3-b]thiochromen-4-one 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以96%的产率得到2-(2,3-dimethoxybenzyl)-7-methoxy-2,3-dihydro-thieno[2,3-b][1]benzothiopyran-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：

  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

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.