3-(3,3',4',7-tetramethoxyflavonyl-5-oxy)propan-1-ol | 461391-88-8

• 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-(3,3',4',7-tetramethoxyflavonyl-5-oxy)propan-1-ol
• 英文别名: 2-(3,4-Dimethoxyphenyl)-5-(3-hydroxypropoxy)-3,7-dimethoxychromen-4-one；2-(3,4-dimethoxyphenyl)-5-(3-hydroxypropoxy)-3,7-dimethoxychromen-4-one
• CAS: 461391-88-8
• 化学式: C₂₂H₂₄O₈
• 分子量: 416.428
• InChiKey: GIDIEPFNFVRQRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  丙二酸甲酯酰氯 、 3-(3,3',4',7-tetramethoxyflavonyl-5-oxy)propan-1-ol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以73%的产率得到methyl 3-(3,3',4',7-tetramethoxyflavonyl-5-oxy)prop-1-yl malonate
  参考文献：
  名称：

  Synthesis of [60]fullerene–quercetin dyads

  摘要：

  Starting from quercetin. a natural flavonol with high antioxidant activity, three novel [60]fullerene-flavone derivatives were synthesized via cyclopropanation of C-60. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00867-5
• 作为产物：
  描述：

  栎精-3,5,7,3,4-五甲醚 在 aluminum tri-bromide 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.5h， 生成 3-(3,3',4',7-tetramethoxyflavonyl-5-oxy)propan-1-ol
  参考文献：
  名称：

  [60]Fullerene–flavonoid dyads

  摘要：

  A range of fullerene-chalcone, fullerene-flavone, and fullerene-chromone dyads, including a bis(flavonyl)-fullerene dyad, were prepared by 1,3-dipolar cycloaddition reactions of azomethine ylides to C-60 and by cyclopropanation of C-60 with flavonyl malonates. Synthetic and natural flavonoid derivatives were used as starting materials. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.03.003

文献信息

• Synthesis of [60]fullerene–quercetin dyads
  作者：Maria D.L. de la Torre、Augusto C. Tomé、Artur M.S. Silva、José A.S. Cavaleiro

  DOI：10.1016/s0040-4039(02)00867-5

  日期：2002.5

  Starting from quercetin. a natural flavonol with high antioxidant activity, three novel [60]fullerene-flavone derivatives were synthesized via cyclopropanation of C-60. (C) 2002 Elsevier Science Ltd. All rights reserved.
• [60]Fullerene–flavonoid dyads
  作者：Maria D.L de la Torre、Andrea G.P Rodrigues、Augusto C Tomé、Artur M.S Silva、José A.S Cavaleiro

  DOI：10.1016/j.tet.2004.03.003

  日期：2004.4

  A range of fullerene-chalcone, fullerene-flavone, and fullerene-chromone dyads, including a bis(flavonyl)-fullerene dyad, were prepared by 1,3-dipolar cycloaddition reactions of azomethine ylides to C-60 and by cyclopropanation of C-60 with flavonyl malonates. Synthetic and natural flavonoid derivatives were used as starting materials. (C) 2004 Elsevier Ltd. All rights reserved.