4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one | 332022-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
• CAS: 332022-56-7
• 化学式: C₂₂H₁₅ClN₂O₃
• 分子量: 390.826
• InChiKey: FAJSYAZYXFWONL-UHFFFAOYSA-N

物化性质

• 熔点：
  248-250 °C(Solv: acetic acid (64-19-7))
• 沸点：
  557.1±50.0 °C(Predicted)
• 密度：
  1.431±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  70.5
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氨基吡啶 、 4-氯苯甲醛 、 2,4-二氧代-4-苯丁酸甲酯 在 溶剂黄146 、 水 作用下， 反应 2.0h， 生成 4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-1-(pyridin-2-yl)-1,5-dihydro-2H-pyrrol-2-one
  参考文献：
  名称：

  Approach to the Library of 3-Hydroxy-1,5-dihydro-2H-pyrrol-2-ones through a Three-Component Condensation

  摘要：

  A convenient procedure for the parallel synthesis of 3-hydroxy-1,5-dihydro-2H-pyrrol-2-ones through a three-component condensation of active methylene compounds, aldehydes, and amines was developed. It was shown that the use of acetic acid as the reaction medium was suitable for the considerably reactive substrates with no additional functionalities. The substrates with low reactivity and those possessing carboxylic groups or additional basic centers required the use of DMF as the solvent and chlorotrimethylsilane as the reaction promoter was necessary. More than 3000 pyrrolones were synthesized by the developed procedure. To demonstrate the scope of the described approach 114 library representatives were fully characterized.

  DOI：

  10.1021/co300082t

文献信息

• 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE
  申请人：Berecibar Amaya

  公开号：US20120128630A1

  公开（公告）日：2012-05-24

  The present invention concerns a 1-(6 members azo-heterocyclic)-pyrrolin-2-one compound of the following formula I or a salt, solvate, tautomer, isotope, enantiomer, diastereoisomer or racemic mixture thereof: the pharmaceutical composition thereof and their therapeutic use as inhibitors of Hepatitis C NS5B polymerase.

  本发明涉及以下公式I的1-(6成员偶氮杂环)-吡咯烷-2-酮化合物或其盐、溶剂化物、互变异构体、同位素、对映异构体或其混合物：其药物组合物及其作为丙型肝炎NS5B聚合酶抑制剂的治疗用途。