2-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-2-methyl-N-(4-methoxyphenyl)-1,3-thiazolidin-4-one | 1454803-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-2-methyl-N-(4-methoxyphenyl)-1,3-thiazolidin-4-one
• CAS: 1454803-59-8
• 化学式: C₂₁H₂₁NO₆S
• 分子量: 415.467
• InChiKey: JMNKOODVRXJRDE-UHFFFAOYSA-N

物化性质

• 熔点：
  178-180 °C
• 沸点：
  693.8±55.0 °C(predicted)
• 密度：
  1.340±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.37
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  5-((E)-1-(4-methoxyphenylimino)ethyl)-4,7-dimethoxybenzofuran-6-ol 、 巯基乙酸 在 zinc(II) chloride 作用下， 以 苯 为溶剂， 以77%的产率得到2-(4,7-dimethoxy-6-hydroxybenzofuran-5-yl)-2-methyl-N-(4-methoxyphenyl)-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