7-carboxymethoxy-4-phenylcoumarin | 130181-72-5

• 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: 7-carboxymethoxy-4-phenylcoumarin
• 英文别名: [(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetic acid；2-(2-oxo-4-phenylchromen-7-yl)oxyacetic acid
• CAS: 130181-72-5
• 化学式: C₁₇H₁₂O₅
• mdl: MFCD00708042
• 分子量: 296.279
• InChiKey: QOBLMSXUHNMBDB-UHFFFAOYSA-N

物化性质

• 沸点：
  530.5±50.0 °C(Predicted)
• 密度：
  1.381±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  7-carboxymethoxy-4-phenylcoumarin 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 (S)-2-[2-(2-Oxo-4-phenyl-2H-chromen-7-yloxy)-acetylamino]-pentanoic acid
  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 在 碳酸氢钠 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 为溶剂， 生成 7-carboxymethoxy-4-phenylcoumarin
  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

• Modified Coumarins. 35. Synthesis of Coumarins Containing a Lupinine Moiety
  作者：Yu. A. Nikitina、A. I. Galaev、Ya. L. Garazd、M. M. Garazd、V. G. Kartsev

  DOI：10.1007/s10600-016-1545-3

  日期：2016.1

  New coumarin derivatives containing a lupinine moiety were prepared via amidation of coumarinyloxyacetic, coumarinylacetic, and coumarinylpropionic acids by lupinamine.

  通过羽扇豆胺对香豆素氧乙酸、香豆素乙酸和香豆素丙酸的酰胺化作用，制备出了含有羽扇豆碱分子的新型香豆素衍生物。
• Modified Coumarins. 40. Synthesis of Benzopyran-2-One Carbonyl Derivatives of 9-Nitrocytisine
  作者：S. Yu. Patrikei、Ya. L. Garazd、M. M. Garazd

  DOI：10.1007/s10600-017-2020-5

  日期：2017.5

  Derivatives of coumarins, furocoumarins, and dihydropyranocoumarins containing a 9-nitrocytisine moiety were synthesized.

  合成了含有 9-硝基胞嘧啶部分的香豆素、呋喃香豆素和二氢吡喃香豆素的衍生物。
• 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.