1-(2-hydroxy-3-methyl-4-propoxyphenyl)ethanone | 714960-81-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-hydroxy-3-methyl-4-propoxyphenyl)ethanone
• CAS: 714960-81-3
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: CMGCXARJRHLWIX-UHFFFAOYSA-N

物化性质

• 熔点：
  36-37 °C(Solv: ligroine (8032-32-4))
• 沸点：
  337.6±37.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-hydroxy-3-methyl-4-propoxyphenyl)ethanone 在 sodium 、 三乙胺 、 三氯氧磷 作用下， 以 二苯醚 、 xylene 为溶剂， 反应 1.67h， 生成 4-chloro-8-methyl-7-propoxy-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
• 作为产物：
  描述：

  3,5-二羟基-4-乙酰甲苯 、 1-碘代丙烷 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 6.0h， 以90%的产率得到1-(2-hydroxy-3-methyl-4-propoxyphenyl)ethanone
  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

文献信息

• Synthesis and in vitro inhibitory activity on human platelet aggregation of novel properly substituted 4-(1-piperazinyl)coumarins
  作者：Mario Di Braccio、Giancarlo Grossi、Giorgio Roma、Maria Grazia Signorello、Giuliana Leoncini

  DOI：10.1016/j.ejmech.2003.12.010

  日期：2004.5

  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.