(E)-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxylic acid | 1346514-39-3

• 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)-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxylic acid
• CAS: 1346514-39-3
• 化学式: C₂₄H₁₆O₅
• 分子量: 384.388
• InChiKey: KPEYUXYXHIFJHH-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  84.58
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxylic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 (E)-6-(3-oxo-3-p-tolylprop-1-enyl)-3-(piperidine-1-carbonyl)-2H-benzo[h]chromen-2-one
  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：

  (E)-ethyl 2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxylate 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (E)-2-oxo-6-(3-oxo-3-p-tolylprop-1-enyl)-2H-benzo[h]chromene-3-carboxylic acid
  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