(E)-N-methyl-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxamide | 1346514-40-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-N-methyl-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxamide
• 英文别名: N-methyl-6-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]-2-oxobenzo[h]chromene-3-carboxamide
• CAS: 1346514-40-6
• 化学式: C₂₅H₁₉NO₄
• 分子量: 397.43
• InChiKey: RFYGAIFGVUZRFT-VAWYXSNFSA-N

物化性质

• 熔点：
  137-138 °C
• 沸点：
  729.9±60.0 °C(predicted)
• 密度：
  1.299±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-1-hydroxy-4-(3-oxo-3-p-tolylprop-1-enyl)-2-naphthaldehyde 在 哌啶 、 氯化亚砜 、 水 、 potassium hydroxide 作用下， 以 乙醇 、 苯 为溶剂， 反应 3.5h， 生成 (E)-N-methyl-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-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

文献信息

• Synthesis of novel 3-carboxamide-benzocoumarin derivatives as orally active antithrombotic agents
  作者：Koneni V. Sashidhara、Abdhesh Kumar、Manoj Kumar、S. Singh、Manish Jain、Madhu Dikshit

  DOI：10.1016/j.bmcl.2011.09.100

  日期：2011.12

  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.