5-((E)-1-(phenylimino)ethyl)-4,7-dimethoxybenzofuran-6-ol | 1454803-49-6

• 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: 5-((E)-1-(phenylimino)ethyl)-4,7-dimethoxybenzofuran-6-ol
• CAS: 1454803-49-6
• 化学式: C₁₈H₁₇NO₄
• 分子量: 311.337
• InChiKey: FPSFKIMPVJUCMQ-YBFXNURJSA-N

物化性质

• 熔点：
  140-142 °C
• 沸点：
  464.8±45.0 °C(predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.19
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-((E)-1-(phenylimino)ethyl)-4,7-dimethoxybenzofuran-6-ol 、 巯基乙酸 在 zinc(II) chloride 作用下， 以 苯 为溶剂， 以79%的产率得到2-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-2-methyl-N-phenyl-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Synthesis of new benzofuran-1,3-thiazolidin-4-one derivatives from natural sources and study of their antioxidant activity

  摘要：

  Synthesis of benzofuran-1,3-thiazolidinone derivatives is described herein. These compounds were prepared via a concise and short route by condensation reaction of khellinone with aromatic/aliphatic amines followed by cyclization using thioglycolic acid. The newly synthesized compounds were characterized using the well known spectroscopic tools (IR, H-1 NMR, and mass spectroscopy), as well as microanalysis. In frames of biological screening of the compounds, antioxidant activity was assessed in vitro.

  DOI：

  10.1134/s106816201304002x
• 作为产物：
  描述：

  凯林酮 、 苯胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以89%的产率得到5-((E)-1-(phenylimino)ethyl)-4,7-dimethoxybenzofuran-6-ol
  参考文献：
  名称：

  Synthesis of new benzofuran-1,3-thiazolidin-4-one derivatives from natural sources and study of their antioxidant activity

  摘要：

  Synthesis of benzofuran-1,3-thiazolidinone derivatives is described herein. These compounds were prepared via a concise and short route by condensation reaction of khellinone with aromatic/aliphatic amines followed by cyclization using thioglycolic acid. The newly synthesized compounds were characterized using the well known spectroscopic tools (IR, H-1 NMR, and mass spectroscopy), as well as microanalysis. In frames of biological screening of the compounds, antioxidant activity was assessed in vitro.

  DOI：

  10.1134/s106816201304002x