3-(4-methoxyphenyl)-7-methylcoumarin | 94541-01-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(4-methoxyphenyl)-7-methylcoumarin
• 英文别名: 3-(4-methoxyphenyl)-7-methylchromen-2-one
• CAS: 94541-01-2
• 化学式: C₁₇H₁₄O₃
• 分子量: 266.296
• InChiKey: JSEQJKAXKALAAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-methoxyphenyl)-7-methylcoumarin 在 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 、 过氧化苯甲酰 作用下， 以 苯 为溶剂， 反应 10.0h， 生成 7-formyl-3-(4-methoxyphenyl)coumarin
  参考文献：
  名称：

  Synthesis and biological evaluation of resveratrol–coumarin hybrid compounds as potential antitumor agents

  摘要：

  Eighteen resveratrol-coumarin hybrid compounds (6 or 7-styryl-3-phenylcoumarin) were designed, synthesized and thirteen compounds were evaluated for their antitumor activities against MCF-7, HCT-28, and K562 tumor cell lines. Among them, compounds 2Z, 2E, 5E, and 7E showed varying degrees of growth inhibition of the above cell lines (IC50: 3.78-19.16 mu mol/L). On the basis of the biological results, structure-activity relationships were obtained and discussed.

  DOI：

  10.1007/s00044-012-0159-y
• 作为产物：
  描述：

  间甲酚 在 硼酸 、 乙酸酐 、 三乙胺 作用下， 以 甘油 为溶剂， 反应 6.17h， 生成 3-(4-methoxyphenyl)-7-methylcoumarin
  参考文献：
  名称：

  Synthesis and biological evaluation of resveratrol–coumarin hybrid compounds as potential antitumor agents

  摘要：

  Eighteen resveratrol-coumarin hybrid compounds (6 or 7-styryl-3-phenylcoumarin) were designed, synthesized and thirteen compounds were evaluated for their antitumor activities against MCF-7, HCT-28, and K562 tumor cell lines. Among them, compounds 2Z, 2E, 5E, and 7E showed varying degrees of growth inhibition of the above cell lines (IC50: 3.78-19.16 mu mol/L). On the basis of the biological results, structure-activity relationships were obtained and discussed.

  DOI：

  10.1007/s00044-012-0159-y

文献信息

• POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS
  申请人：Taugerbeck Andreas

  公开号：US20120182516A1

  公开（公告）日：2012-07-19

  The present invention relates to polymerisable compounds, to processes and intermediates for the preparation thereof, and to the use thereof for optical, electro-optical and electronic purposes, in particular in liquid-crystal (LC) media and LC displays, especially in LC displays of the PS (“polymer sustained”) or PSA (“polymer sustained alignment”) type.

  本发明涉及可聚合化合物，以及用于其制备的过程和中间体，以及其用途，特别是在液晶（LC）介质和LC显示器中的光学、电光和电子用途，尤其是在PS（“聚合物维持”）或PSA（“聚合物维持定向”）类型的LC显示器中。
• LIQUID-CRYSTAL DISPLAY
  申请人：Goetz Achim

  公开号：US20110205482A1

  公开（公告）日：2011-08-25

  The present invention relates to polymerisable compounds, to processes and intermediates for the preparation thereof, and to the use thereof for optical, electro-optical and electronic purposes, in particular in liquid-crystal (LC) media and LC displays, especially in LC displays of the PS (polymer stabilised) or PSA (polymer sustained alignment) type.

  本发明涉及可聚合化合物，以及用于其制备的工艺和中间体，以及其在光学、电光和电子方面的用途，特别是在液晶（LC）介质和LC显示器中的应用，尤其是在PS（聚合物稳定）或PSA（聚合物持续对准）类型的LC显示器中的应用。
• US8021573B2
  申请人：——

  公开号：US8021573B2

  公开（公告）日：2011-09-20
• US8940184B2
  申请人：——

  公开号：US8940184B2

  公开（公告）日：2015-01-27
• Synthesis and biological evaluation of resveratrol–coumarin hybrid compounds as potential antitumor agents
  作者：Wei Shen、Jianfeng Mao、Juan Sun、Minjie Sun、Can Zhang

  DOI：10.1007/s00044-012-0159-y

  日期：2013.4

  Eighteen resveratrol-coumarin hybrid compounds (6 or 7-styryl-3-phenylcoumarin) were designed, synthesized and thirteen compounds were evaluated for their antitumor activities against MCF-7, HCT-28, and K562 tumor cell lines. Among them, compounds 2Z, 2E, 5E, and 7E showed varying degrees of growth inhibition of the above cell lines (IC50: 3.78-19.16 mu mol/L). On the basis of the biological results, structure-activity relationships were obtained and discussed.