| 1208125-86-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1208125-86-3
• 化学式: C₁₃H₁₈O₅
• 分子量: 254.283
• InChiKey: UXXFUUHXUAPHTG-IGJMFERPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 水 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以1.3 g的产率得到
  参考文献：
  名称：

  Synthesis, anti-HIV and anti-oxidant activities of caffeoyl 5,6-anhydroquinic acid derivatives

  摘要：

  In our continued research on chlorogenic acid analogues and derivatives with improved bioactivity, we have synthesized some caffeoyl 5,6-anhydroquinic acid derivatives. The 1,7 acetonides of chlorogenic acid ( 15), and of the mono-caffeoyl 5,6-anhydroquinic acids (7-8) showed appreciable anti-HIV activity. The 3,4-dicaffeoyl 5,6-anhydroquinic acid ( 12) exhibited an anti-HIV activity twice as that of 3,5-dicaffeoylquinic acid ( 22). The caffeoyl 5,6-anhydroquinic acid derivatives displayed potent anti-oxidant activities. The mono-caffeoyl 5,6-anhydroquinic acids (10-11) were more than twice stronger than chlorogenic acid ( 21) on SOD-like activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.043
• 作为产物：
  描述：

  quinic acid bisacetonide 在 吡啶 、 4-二甲氨基吡啶 、 磺酰氯 作用下， 反应 21.0h， 以54%的产率得到
  参考文献：
  名称：

  Synthesis, anti-HIV and anti-oxidant activities of caffeoyl 5,6-anhydroquinic acid derivatives

  摘要：

  In our continued research on chlorogenic acid analogues and derivatives with improved bioactivity, we have synthesized some caffeoyl 5,6-anhydroquinic acid derivatives. The 1,7 acetonides of chlorogenic acid ( 15), and of the mono-caffeoyl 5,6-anhydroquinic acids (7-8) showed appreciable anti-HIV activity. The 3,4-dicaffeoyl 5,6-anhydroquinic acid ( 12) exhibited an anti-HIV activity twice as that of 3,5-dicaffeoylquinic acid ( 22). The caffeoyl 5,6-anhydroquinic acid derivatives displayed potent anti-oxidant activities. The mono-caffeoyl 5,6-anhydroquinic acids (10-11) were more than twice stronger than chlorogenic acid ( 21) on SOD-like activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.043