4-hydroxy-8-methyl-7-(1-phenylethoxy)-2H-1-benzopyran-2-one | 714961-16-7

• 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: 4-hydroxy-8-methyl-7-(1-phenylethoxy)-2H-1-benzopyran-2-one
• 英文别名: 4-Hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
• CAS: 714961-16-7
• 化学式: C₁₈H₁₆O₄
• 分子量: 296.323
• InChiKey: PWZMTGYPVFFIJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-hydroxy-8-methyl-7-(1-phenylethoxy)-2H-1-benzopyran-2-one 在 三乙胺 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 8-Methyl-7-(1-phenyl-ethoxy)-4-piperazin-1-yl-chromen-2-one
  参考文献：
  名称：

  Synthesis and in vitro inhibitory activity on human platelet aggregation of novel properly substituted 4-(1-piperazinyl)coumarins

  摘要：

  Pursuing our chemical and biological studies in this field, we described the multistep preparation of the new 5-, 6-, or 7-alkoxy and 7-alkoxy-8-methyl substituted 4-(1-piperazinyl)coumarins 5d-v, as well as the in vitro evaluation of their inhibitory activity on human platelet aggregation induced in platelet-rich plasma by ADP, collagen or the Ca2+ ionophore A23187. Compounds 5h-j,p,r-u showed notably high activity towards all the platelet aggregation inducers used, and the most active one, 8-methyl-4-(1-piperazinyl)-7-(3-pyridylmethoxy)coumarin (5t), proved to be a potent in vitro antiplatelet agent. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.12.010
• 作为产物：
  描述：

  3,5-二羟基-4-乙酰甲苯 在 氢氧化钾 、 sodium 、 potassium carbonate 作用下， 以 二苯醚 、 丁酮 、 xylene 为溶剂， 反应 7.0h， 生成 4-hydroxy-8-methyl-7-(1-phenylethoxy)-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Synthesis and in vitro inhibitory activity on human platelet aggregation of novel properly substituted 4-(1-piperazinyl)coumarins

  摘要：

  Pursuing our chemical and biological studies in this field, we described the multistep preparation of the new 5-, 6-, or 7-alkoxy and 7-alkoxy-8-methyl substituted 4-(1-piperazinyl)coumarins 5d-v, as well as the in vitro evaluation of their inhibitory activity on human platelet aggregation induced in platelet-rich plasma by ADP, collagen or the Ca2+ ionophore A23187. Compounds 5h-j,p,r-u showed notably high activity towards all the platelet aggregation inducers used, and the most active one, 8-methyl-4-(1-piperazinyl)-7-(3-pyridylmethoxy)coumarin (5t), proved to be a potent in vitro antiplatelet agent. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.12.010