4-methyl-7-oxiranylmethoxy-benzo[h]chromen-2-one | 1231948-25-6

• 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: 4-methyl-7-oxiranylmethoxy-benzo[h]chromen-2-one
• CAS: 1231948-25-6
• 化学式: C₁₇H₁₄O₄
• 分子量: 282.296
• InChiKey: WYKXECGXCNCBQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  51.97
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-乙基苯胺 、 4-methyl-7-oxiranylmethoxy-benzo[h]chromen-2-one 以 乙醇 为溶剂， 反应 5.0h， 以85%的产率得到7-[3-(2-ethyl-phenylamino)-2-hydroxy-propoxy]-4-methyl-benzo[h]chromen-2-one
  参考文献：
  名称：

  Synthesis of novel benzocoumarin derivatives as lipid lowering agents

  摘要：

  A series of novel benzocoumarin derivatives were synthesized and evaluated for their in vivo anti-dyslipidemic and in vitro antioxidant activities. Preliminary screening indicates compound 4 as potential lead with significant lipid lowering and antioxidant activities. The study revealed that such attempts on benzocoumarin-based pharmacophores which is a biologically important scaffold might result in identification of new lead for anti-dyslipidemia. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.103
• 作为产物：
  描述：

  4-甲基-7-羟基-8-硝基香豆素 、 环氧氯丙烷 在 potassium carbonate 作用下， 反应 1.0h， 以60%的产率得到4-methyl-7-oxiranylmethoxy-benzo[h]chromen-2-one
  参考文献：
  名称：

  Synthesis of novel benzocoumarin derivatives as lipid lowering agents

  摘要：

  A series of novel benzocoumarin derivatives were synthesized and evaluated for their in vivo anti-dyslipidemic and in vitro antioxidant activities. Preliminary screening indicates compound 4 as potential lead with significant lipid lowering and antioxidant activities. The study revealed that such attempts on benzocoumarin-based pharmacophores which is a biologically important scaffold might result in identification of new lead for anti-dyslipidemia. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.103