(2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-7-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}-1-benzofuran-3(2H)-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 橙酮类黄酮
• 英文名称: (2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-7-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}-1-benzofuran-3(2H)-one
• 英文别名: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-hydroxy-7-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1-benzofuran-3-one
• 化学式: C₂₈H₂₈N₂O₅
• 分子量: 472.541
• InChiKey: IJCZHDIMJLRBLK-KLNAUVTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-羟基-2H-苯并呋喃-3-酮 、 2,4-二甲氧基苯甲醛 在 4-二甲氨基吡啶 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2Z)-2-(2,4-dimethoxybenzylidene)-6-hydroxy-7-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}-1-benzofuran-3(2H)-one
  参考文献：
  名称：

  Synthesis of anabasine-containing aminomethyl derivatives of 6-hydroxyaurones

  摘要：

  uAminomethylation of aurones was studied by using anabasine. The reaction in the case of 6-hydroxyaurones was shown to selectively provide 7-aminomethyl-6-hydroxyaurones, while 5-aminomethyl-6-hydroxy-7-methylaurones could be obtained by transamination of 5-dimethylaminomethyl derivatives of 6-hydroxy-7-methylaurones in the presence of anabasine.

  DOI：

  10.1007/s10593-019-02444-2

文献信息

• Synthesis of anabasine-containing aminomethyl derivatives of 6-hydroxyaurones
  作者：Antonina V. Popova、Svitlana P. Bondarenko、Valentina I. Vinogradova、Mykhaylo S. Frasinyuk

  DOI：10.1007/s10593-019-02444-2

  日期：2019.3

  uAminomethylation of aurones was studied by using anabasine. The reaction in the case of 6-hydroxyaurones was shown to selectively provide 7-aminomethyl-6-hydroxyaurones, while 5-aminomethyl-6-hydroxy-7-methylaurones could be obtained by transamination of 5-dimethylaminomethyl derivatives of 6-hydroxy-7-methylaurones in the presence of anabasine.