ethyl 6-methyl-2-oxo-2H-benzo[h]chromene-3-carboxylate | 1239990-60-3

• 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: ethyl 6-methyl-2-oxo-2H-benzo[h]chromene-3-carboxylate
• CAS: 1239990-60-3
• 化学式: C₁₇H₁₄O₄
• 分子量: 282.296
• InChiKey: WAVCPWSWIJEDQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  56.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 6-methyl-2-oxo-2H-benzo[h]chromene-3-carboxylate 在 氯化亚砜 、 水 、 potassium hydroxide 作用下， 以 乙醇 、 苯 为溶剂， 反应 3.0h， 生成 6-methyl-N-(3-morpholinopropyl)-2-oxo-2H-benzo[h]chromene-3-carboxamide
  参考文献：
  名称：

  Synthesis of novel 3-carboxamide-benzocoumarin derivatives as orally active antithrombotic agents

  摘要：

  In an effort to develop potent antithrombotic agents, a series of novel 3-carboxamide-benzocoumarin derivatives were synthesized and screened for their in vivo antithrombotic activity. Among 20 compounds tested, the compound 12b showed the most promising antithrombotic activity which was comparable with clinically used aspirin or warfarin, but, at variance with these standard drugs, 12b did not exhibit the increased bleeding time, suggesting its potential as a novel antithrombotic agent. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.100
• 作为产物：
  描述：

  萘酚 在 哌啶 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 ethyl 6-methyl-2-oxo-2H-benzo[h]chromene-3-carboxylate
  参考文献：
  名称：

  Synthesis of novel 3-carboxamide-benzocoumarin derivatives as orally active antithrombotic agents

  摘要：

  In an effort to develop potent antithrombotic agents, a series of novel 3-carboxamide-benzocoumarin derivatives were synthesized and screened for their in vivo antithrombotic activity. Among 20 compounds tested, the compound 12b showed the most promising antithrombotic activity which was comparable with clinically used aspirin or warfarin, but, at variance with these standard drugs, 12b did not exhibit the increased bleeding time, suggesting its potential as a novel antithrombotic agent. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.100

文献信息

• Novel coumarin derivatives as potential antidyslipidemic agents
  作者：Koneni V. Sashidhara、Abdhesh Kumar、Manoj Kumar、Ravi Sonkar、Gitika Bhatia、A.K. Khanna

  DOI：10.1016/j.bmcl.2010.05.023

  日期：2010.7

  A series of novel benzocoumarin derivatives were synthesized and evaluated for their in vivo antidyslipidemic and in vitro antioxidant activities. Among 11 compounds tested, 2 compounds showed potent antidyslipidemic activity and 3 compounds showed potent antioxidant activity. (C) 2010 Elsevier Ltd. All rights reserved.