4-hydroxy-3-isobutyl-1-methylquinolin-2(1H)-one | 928040-60-2

• 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: 4-hydroxy-3-isobutyl-1-methylquinolin-2(1H)-one
• 英文别名: 4-Hydroxy-1-methyl-3-(2-methylpropyl)quinolin-2-one；4-hydroxy-1-methyl-3-(2-methylpropyl)quinolin-2-one
• CAS: 928040-60-2
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: FWJASSAMIFVRMF-UHFFFAOYSA-N

物化性质

• 熔点：
  186.0-187.0 °C(Solvent: Dichloromethane ; Methanol)
• 沸点：
  343.5±42.0 °C(Predicted)
• 密度：
  1.150±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羟基-N-甲基-2-喹啉 、 异丁醇 在 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 potassium hydroxide 作用下， 反应 48.0h， 以88%的产率得到4-hydroxy-3-isobutyl-1-methylquinolin-2(1H)-one
  参考文献：
  名称：

  Iridium catalysed alkylation of 4-hydroxy coumarin, 4-hydroxy-2-quinolones and quinolin-4(1H)-one with alcohols under solvent free thermal conditions

  摘要：

  Ir catalysed alkylation of 4-hydroxy coumarin, 4-hydroxy-2-quinolones and quinolin-4(1H)-one with a range of substituted benzyl and aliphatic alcohols under solvent free thermal conditions afforded the corresponding monoalkylated products in high to excellent yield and in certain cases produced bis-(3,3'-1-methyl-4-hydroxy)methenes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.027

文献信息

• Iridium catalysed alkylation of 4-hydroxy coumarin, 4-hydroxy-2-quinolones and quinolin-4(1H)-one with alcohols under solvent free thermal conditions
  作者：Ronald Grigg、Simon Whitney、Visuvanathar Sridharan、Ann Keep、Andrew Derrick

  DOI：10.1016/j.tet.2009.07.027

  日期：2009.9

  Ir catalysed alkylation of 4-hydroxy coumarin, 4-hydroxy-2-quinolones and quinolin-4(1H)-one with a range of substituted benzyl and aliphatic alcohols under solvent free thermal conditions afforded the corresponding monoalkylated products in high to excellent yield and in certain cases produced bis-(3,3'-1-methyl-4-hydroxy)methenes. (C) 2009 Elsevier Ltd. All rights reserved.