3-acetyl-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one | 1456898-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3-acetyl-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
• 英文别名: 3-Acetyl-6,7,8,9-tetrahydrobenzo[g]chromen-2-one；3-acetyl-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
• CAS: 1456898-73-9
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: FYAIFCYCDGVFNB-UHFFFAOYSA-N

物化性质

• 沸点：
  455.4±45.0 °C(predicted)
• 密度：
  1.254±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-羟基-5,6,7,8-四氢萘-2-甲醛 、 乙酰乙酸乙酯 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以56%的产率得到3-acetyl-6,7,8,9-tetrahydro-2H-benzo[g]chromen-2-one
  参考文献：
  名称：

  Synthesis of Novel Coumarin Derivatives and in vitro Biological Evaluation as Potential PTP 1B Inhibitors

  摘要：

  The aim of protein tyrosine phosphatase 1B (PTP 1B) inhibitors is to develop effective drug for diabetes and obesity. Coumarin becomes as a good skeleton, and is often applied in drug design and synthesis. In this paper, we have synthesized a series of novel coumarin derivatives to be as potential PTP 1B inhibitors. The inhibition rate of compound 9 was more than 80%, and the IC50 value was 49.2 mu M, which would be considered for further study.

  DOI：

  10.3987/com-13-12730

文献信息

• Synthesis of Novel Coumarin Derivatives and in vitro Biological Evaluation as Potential PTP 1B Inhibitors
  作者：Honggang Zhou、Wei Liu、Cheng Sun、Chune Peng、Jian Wang、Quan Wang、Cheng Yang

  DOI：10.3987/com-13-12730

  日期：——

  The aim of protein tyrosine phosphatase 1B (PTP 1B) inhibitors is to develop effective drug for diabetes and obesity. Coumarin becomes as a good skeleton, and is often applied in drug design and synthesis. In this paper, we have synthesized a series of novel coumarin derivatives to be as potential PTP 1B inhibitors. The inhibition rate of compound 9 was more than 80%, and the IC50 value was 49.2 mu M, which would be considered for further study.