ethyl 2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoate | 270596-07-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: ethyl 2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoate
• 英文别名: 7-[1-(ethoxycarbonylethoxy)]-4-phenylcoumarin；ethyl 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoate；ethyl 2-(2-oxo-4-phenylchromen-7-yl)oxypropanoate
• CAS: 270596-07-1
• 化学式: C₂₀H₁₈O₅
• 分子量: 338.36
• InChiKey: CDWWJJUGAPQPFT-UHFFFAOYSA-N

物化性质

• 沸点：
  496.4±45.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoate 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 N-{2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoyl}glycine
  参考文献：
  名称：

  Synthesis of amino acid derivatives of 7-methoxycarbonylneoflavones

  摘要：

  A number of aminoacyl derivatives of 4-phenylcoumarin have been obtained by the condensation of N-hydroxysuccinimide esters of 7-(1-carboxyalkoxy)-4-phenylcoumarins with L-amino acids and their derivatives.

  DOI：

  10.1007/bf02282506
• 作为产物：
  描述：

  7-羟基-4-苯基香豆素 、 2-溴丙酸乙酯 在 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 为溶剂， 以85%的产率得到ethyl 2-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoate
  参考文献：
  名称：

  Synthesis of amino acid derivatives of 7-methoxycarbonylneoflavones

  摘要：

  A number of aminoacyl derivatives of 4-phenylcoumarin have been obtained by the condensation of N-hydroxysuccinimide esters of 7-(1-carboxyalkoxy)-4-phenylcoumarins with L-amino acids and their derivatives.

  DOI：

  10.1007/bf02282506

文献信息

• 4-PHENYL-COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER
  申请人：Lead Discovery Center GmbH

  公开号：EP3598972A1

  公开（公告）日：2020-01-29

  The invention provides novel 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof as specific mitochondrial RNA polymerase inhibitors for the treatment of cancer.

  本发明提供了新型的4-苯基香豆素衍生物，它们的制备方法和用途作为特异性线粒体RNA聚合酶抑制剂，用于治疗癌症。
• 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer
  申请人：Lead Discovery Center GmbH

  公开号：US10703735B2

  公开（公告）日：2020-07-07

  The invention provides novel 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof as specific mitochondrial RNA polymerase inhibitors for the treatment of cancer.

  本发明提供了新型 4-苯基香豆素衍生物、其制备工艺及其作为治疗癌症的特异性线粒体 RNA 聚合酶抑制剂的用途。
• 4-PHENYL-COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER
  申请人：Lead Discovery Center GmbH

  公开号：US20200031794A1

  公开（公告）日：2020-01-30

  The invention provides novel 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof as specific mitochondrial RNA polymerase inhibitors for the treatment of cancer.
• Synthesis of amino acid derivatives of 7-methoxycarbonylneoflavones
  作者：M. M. Garazd、Ya. L. Garazd、M. N. Smirnov、V. P. Khilya

  DOI：10.1007/bf02282506

  日期：1999.7

  A number of aminoacyl derivatives of 4-phenylcoumarin have been obtained by the condensation of N-hydroxysuccinimide esters of 7-(1-carboxyalkoxy)-4-phenylcoumarins with L-amino acids and their derivatives.