6-bromo-8'-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate | 859134-19-3

• 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: 6-bromo-8'-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
• 英文别名: 4-(6-bromo-2-oxochromen-3-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate
• CAS: 859134-19-3
• 化学式: C₂₅H₂₃BrN₂O₆
• 分子量: 527.371
• InChiKey: VURIFMSHLHWWGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  99.5
• 氢给体数：
  2
• 氢受体数：
  8

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 为溶剂， 生成 6-bromo-8'-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-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.