3',4',7-tri-O-(2-acetoxyethoxy)quercetin | 1429915-87-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3',4',7-tri-O-(2-acetoxyethoxy)quercetin
• CAS: 1429915-87-6
• 化学式: C₂₇H₂₈O₁₃
• 分子量: 560.512
• InChiKey: MNQLVRXAFVYDSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  40.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  177.26
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 曲克芦丁 在 硫酸 作用下， 反应 7.0h， 以57%的产率得到3',4',7-tri-O-(2-acetoxyethoxy)quercetin
  参考文献：
  名称：

  Synthesis and antioxidant activities of flavonoids derivatives, troxerutin and 3’, 4’, 7-triacetoxyethoxyquercetin

  摘要：

  Syntheses of two very important derivatives of quercetin, troxerutin and 3', 4', 7-triacetoxyethoxyquercetin were described. The latter was synthesized by highly selective esterification reaction in first time. The compounds were characterized by NMR, IR and Mass spectroscopy. Additionally, the antioxidant activities of the compounds were tested by means of improved pyrogallol autoxidation method. This was the first in using this method to test the antioxidant activities of these two compounds in vitro. The optimum system of pyorgallol autoxidation spectrophotometry was investigated and established according to the reaction rules. The assay indicated that these compounds showed noticeable antioxidant activities, and compound 2 was much more effective as a free radical scavenger than the compound I vitamin C was used as a reference material. (C) 2013 Yu-Fa Liu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.016