3-Methylbutyl (2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)acetate | 858748-67-1

• 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: 3-Methylbutyl (2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)acetate
• 英文别名: 3-methylbutyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
• CAS: 858748-67-1
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: WVPZWEYRCLHZRS-UHFFFAOYSA-N

物化性质

• 熔点：
  106-108 °C
• 沸点：
  422.6±45.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻甲氨基苯甲酸甲酯 在 硫酸 、 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 3-Methylbutyl (2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)acetate
  参考文献：
  名称：

  4-hydroxy-2-quinolones. 179*. Synthesis, structure, and anti-inflammatory activity of 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-ylacetic acid and its derivatives

  摘要：

  The synthesis of 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-ylacetic acid has been carried out and the structure and acid properties studied. Preparative methods for its esterification and amidation are proposed. The anti-inflammatory properties of the synthesized compounds have been evaluated.

  DOI：

  10.1007/s10593-010-0607-x

文献信息

• 4-hydroxy-2-quinolones. 179*. Synthesis, structure, and anti-inflammatory activity of 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-ylacetic acid and its derivatives
  作者：I. V. Ukrainets、E. V. Mospanova、A. A. Davidenko、A. A. Tkach、O. V. Gorokhova

  DOI：10.1007/s10593-010-0607-x

  日期：2010.12

  The synthesis of 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-ylacetic acid has been carried out and the structure and acid properties studied. Preparative methods for its esterification and amidation are proposed. The anti-inflammatory properties of the synthesized compounds have been evaluated.