6-phenyl-5-(3-phenylquinoxalin-2-yl)-4H-1,3-dioxine-2-spirocyclohexan-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-phenyl-5-(3-phenylquinoxalin-2-yl)-4H-1,3-dioxine-2-spirocyclohexan-4-one
• 英文别名: 2-Phenyl-3-(3-phenylquinoxalin-2-yl)-1,5-dioxaspiro[5.5]undec-2-en-4-one
• 化学式: C₂₉H₂₄N₂O₃
• 分子量: 448.521
• InChiKey: MEGVEYLHJBIGKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环己酮 、 2-(4,5-dioxo-2-phenyl-4,5-dihydro-3-furyl)-3-phenylquinoxaline 以 对二甲苯 为溶剂， 以52%的产率得到6-phenyl-5-(3-phenylquinoxalin-2-yl)-4H-1,3-dioxine-2-spirocyclohexan-4-one
  参考文献：
  名称：

  Five-Membered 2,3-Dioxo Heterocycles: XLVI. Reaction of 5-Aryl-4-quinoxalinyl-2,3-dihydrofuran-2,3-diones with Aldehydes and Ketones. Molecular and Crystalline Structure of 5-(3-p-Tolylquinoxalin-2-yl)-4H-1,3-dioxine- 2-spiro-2'-adamantan-4-one

  摘要：

  Aroyl(quinoxalinyl)ketenes generated by thermolysis of 5-aryl-4-(3-arylquinoxalin-2-yl)-2,3-dihydrofuran-2,3-diones act as dienes in [4+2]-cycloaddition at the carbonyl group of aldehydes and ketones to afford 2-substituted 6-aryl-5-(3-arylquinoxalin-2-yl)-4H-1,3-dioxin-4-ones. The structure of 5-(3-p-tolylquinoxalin-2-yi)-4H-1,3-dioxine-2-spiro-2'-adamantan-4-one was proved by X-ray analysis.

  DOI：

  10.1023/b:rujo.0000045203.69639.83

文献信息

• Five-Membered 2,3-Dioxo Heterocycles: XLVI. Reaction of 5-Aryl-4-quinoxalinyl-2,3-dihydrofuran-2,3-diones with Aldehydes and Ketones. Molecular and Crystalline Structure of 5-(3-p-Tolylquinoxalin-2-yl)-4H-1,3-dioxine- 2-spiro-2'-adamantan-4-one
  作者：N. Yu. Lisovenko、A. N. Maslivets、Z. G. Aliev

  DOI：10.1023/b:rujo.0000045203.69639.83

  日期：2004.7

  Aroyl(quinoxalinyl)ketenes generated by thermolysis of 5-aryl-4-(3-arylquinoxalin-2-yl)-2,3-dihydrofuran-2,3-diones act as dienes in [4+2]-cycloaddition at the carbonyl group of aldehydes and ketones to afford 2-substituted 6-aryl-5-(3-arylquinoxalin-2-yl)-4H-1,3-dioxin-4-ones. The structure of 5-(3-p-tolylquinoxalin-2-yi)-4H-1,3-dioxine-2-spiro-2'-adamantan-4-one was proved by X-ray analysis.