methyl 2-oxo-3-quinolin-2-ylpropanoate | 1410097-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 2-oxo-3-quinolin-2-ylpropanoate
• CAS: 1410097-04-9
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: QCOOMADZUJTBOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-哌啶磺酰苯胺 、 methyl 2-oxo-3-quinolin-2-ylpropanoate 、 1-甲基-1H-吡唑-5-甲醛 在 溶剂黄146 、 水 作用下， 反应 2.0h， 生成
  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

• Approach to the Library of 3-Hydroxy-1,5-dihydro-2<i>H</i>-pyrrol-2-ones through a Three-Component Condensation
  作者：Sergey V. Ryabukhin、Dmitriy M. Panov、Andrey S. Plaskon、Oleksandr O. Grygorenko

  DOI：10.1021/co300082t

  日期：2012.12.10

  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.