[6,7-Dichloro-3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]-(4-methoxyphenyl)methanone | 1158081-56-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [6,7-Dichloro-3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]-(4-methoxyphenyl)methanone
• 英文别名: [6,7-dichloro-3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]-(4-methoxyphenyl)methanone
• CAS: 1158081-56-1
• 化学式: C₂₃H₁₆Cl₂N₂O₅
• 分子量: 471.296
• InChiKey: HBZIUAJYZHYVIW-UHFFFAOYSA-N

物化性质

• 沸点：
  727.4±70.0 °C(predicted)
• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  81.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3-双(4-甲氧基苯基)1,3-丙二酮 、 5,6-dichlorobenzofuroxan 在 silica gel 作用下， 反应 0.03h， 以81%的产率得到[6,7-Dichloro-3-(4-methoxyphenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]-(4-methoxyphenyl)methanone
  参考文献：
  名称：

  Silica Gel Catalyzed Synthesis of Quinoxaline 1,4-Dioxides under Solvent-Free Conditions Using Microwave Irradiation

  摘要：

  We report on the simple and quick synthesis of quinoxaline 1,4-dioxides in solvent-free conditions under microwave irradiation. Heating of various benzofuroxans and beta-ketoesters or 1,3-diketones adsorbed on silica gel in a microwave oven for two minutes affords diverse biologically attractive quinoxaline 1,4-dioxides in high to excellent yields. Silica gel functions not only as support using microwave but also as catalyst and dehydration reagent.

  DOI：

  10.3987/com-08-11588

文献信息

• Silica Gel Catalyzed Synthesis of Quinoxaline 1,4-Dioxides under Solvent-Free Conditions Using Microwave Irradiation
  作者：Tohru Takabatake、Yusuke Sumiyoshi、Hiroaki Saito、Shinichi Miyairi

  DOI：10.3987/com-08-11588

  日期：——

  We report on the simple and quick synthesis of quinoxaline 1,4-dioxides in solvent-free conditions under microwave irradiation. Heating of various benzofuroxans and beta-ketoesters or 1,3-diketones adsorbed on silica gel in a microwave oven for two minutes affords diverse biologically attractive quinoxaline 1,4-dioxides in high to excellent yields. Silica gel functions not only as support using microwave but also as catalyst and dehydration reagent.