8'-[(3,5-dimethylpiperidinium-1-yl)methyl]-8-methoxy-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate | 859134-09-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 8'-[(3,5-dimethylpiperidinium-1-yl)methyl]-8-methoxy-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
• 英文别名: 8-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-olate
• CAS: 859134-09-1
• 化学式: C₂₇H₂₇NO₆
• 分子量: 461.514
• InChiKey: HGWNUHQWPVTUAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲基(7-羟基-2-氧代-2H-苯并吡喃-4-基)乙酸酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 8'-[(3,5-dimethylpiperidinium-1-yl)methyl]-8-methoxy-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
  参考文献：
  名称：

  Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins

  摘要：

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.

  DOI：

  10.1007/s10593-012-1009-z

文献信息

• Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins
  作者：M. S. Frasinyuk、S. P. Bondarenko、V. P. Khilya

  DOI：10.1007/s10593-012-1009-z

  日期：2012.6

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.