6-chloro-3-(3-phenylallyloxy)-2-(thiophen-3-yl)-4H-chromen-4-one | 1314110-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-chloro-3-(3-phenylallyloxy)-2-(thiophen-3-yl)-4H-chromen-4-one
• CAS: 1314110-51-4
• 化学式: C₂₂H₁₅ClO₃S
• 分子量: 394.878
• InChiKey: VDCHCKVMYSKYIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.27
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-chloro-3-(3-phenylallyloxy)-2-(thiophen-3-yl)-4H-chromen-4-one 以 甲醇 为溶剂， 反应 0.83h， 生成 、
  参考文献：
  名称：

  Photo-reorganization of 3-alkoxy-6-chloro-2-(thiophen-3-yl)-4H-chromen-4-ones: Regioselective cyclization via γ-hydrogen abstraction

  摘要：

  Regioselective photocyclization of 3-alkoxy-6-chloro-4H-chromen-4-ones bearing thiophen-3-yl moiety at 2-position has been described. These chromenones on irradiation by the pyrex filtered UV-light produced a diverse array of novel angular tetracyclic photoproducts. Of these, mostly the cyclic dihydro and dehydrogenated photoproducts had the gem-dihydro functionality and exocyclic double bonds onto the fused pyran ring respectively, which is unprecedent in these chromenones. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.04.002
• 作为产物：
  描述：

  3-噻吩甲醛 在 四丁基碘化铵 、 potassium carbonate 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 丙酮 为溶剂， 反应 11.5h， 生成 6-chloro-3-(3-phenylallyloxy)-2-(thiophen-3-yl)-4H-chromen-4-one
  参考文献：
  名称：

  Photo-reorganization of 3-alkoxy-6-chloro-2-(thiophen-3-yl)-4H-chromen-4-ones: Regioselective cyclization via γ-hydrogen abstraction

  摘要：

  Regioselective photocyclization of 3-alkoxy-6-chloro-4H-chromen-4-ones bearing thiophen-3-yl moiety at 2-position has been described. These chromenones on irradiation by the pyrex filtered UV-light produced a diverse array of novel angular tetracyclic photoproducts. Of these, mostly the cyclic dihydro and dehydrogenated photoproducts had the gem-dihydro functionality and exocyclic double bonds onto the fused pyran ring respectively, which is unprecedent in these chromenones. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.04.002