3-[(Z)-3,3dimethyl-2-oxobutylidene]-1-phenyl-3,4-dihydroquinoxalin-2(1H)-one | 1115187-52-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[(Z)-3,3dimethyl-2-oxobutylidene]-1-phenyl-3,4-dihydroquinoxalin-2(1H)-one
• 英文别名: (3Z)-3-(3,3-dimethyl-2-oxobutylidene)-1-phenyl-4H-quinoxalin-2-one
• CAS: 1115187-52-4
• 化学式: C₂₀H₂₀N₂O₂
• 分子量: 320.391
• InChiKey: GSDOSZQHMDXDFI-SSZFMOIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  草酰氯 、 3-[(Z)-3,3dimethyl-2-oxobutylidene]-1-phenyl-3,4-dihydroquinoxalin-2(1H)-one 以 苯 为溶剂， 反应 1.0h， 以98%的产率得到5-phenyl-3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4(5H)-trione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LVII. Recyclization of 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4(5H)-triones by the action of o-phenylenediamine. Crystalline and molecular structure of 3-[3,3-dimethyl-2-oxo-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)butyl]-1-phenylquinoxalin-2(1H)-one

  摘要：

  3-[(Z)-3,3-Dimethyl-2-oxobutylidene]-3,4-dihydroquinoxalin-2(1H)-one and its 1-phenyl-substituted analog reacted with oxalyl chloride to give the corresponding 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4 (5H)-triones. Reactions of the latter with o-phenylenediamine led to the formation of 3,3'-(3,3-dimethyl-2-oxobutane-1,1-diyl)di[quinoxalin-2(1H)-ones].

  DOI：

  10.1134/s1070428008040234
• 作为产物：
  描述：

  5,5-dimethyl-2,4-dioxohexanoic acid 、 邻氨基二苯胺 以 乙醇 为溶剂， 反应 1.0h， 以86%的产率得到3-[(Z)-3,3dimethyl-2-oxobutylidene]-1-phenyl-3,4-dihydroquinoxalin-2(1H)-one
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LVII. Recyclization of 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4(5H)-triones by the action of o-phenylenediamine. Crystalline and molecular structure of 3-[3,3-dimethyl-2-oxo-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)butyl]-1-phenylquinoxalin-2(1H)-one

  摘要：

  3-[(Z)-3,3-Dimethyl-2-oxobutylidene]-3,4-dihydroquinoxalin-2(1H)-one and its 1-phenyl-substituted analog reacted with oxalyl chloride to give the corresponding 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4 (5H)-triones. Reactions of the latter with o-phenylenediamine led to the formation of 3,3'-(3,3-dimethyl-2-oxobutane-1,1-diyl)di[quinoxalin-2(1H)-ones].

  DOI：

  10.1134/s1070428008040234

文献信息

• Five-membered 2,3-dioxo heterocycles: LVII. Recyclization of 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4(5H)-triones by the action of o-phenylenediamine. Crystalline and molecular structure of 3-[3,3-dimethyl-2-oxo-1-(3-oxo-3,4-dihydroquinoxalin-2-yl)butyl]-1-phenylquinoxalin-2(1H)-one
  作者：K. S. Bozdyreva、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s1070428008040234

  日期：2008.4

  3-[(Z)-3,3-Dimethyl-2-oxobutylidene]-3,4-dihydroquinoxalin-2(1H)-one and its 1-phenyl-substituted analog reacted with oxalyl chloride to give the corresponding 3-pivaloylpyrrolo[1,2-a]quinoxaline-1,2,4 (5H)-triones. Reactions of the latter with o-phenylenediamine led to the formation of 3,3'-(3,3-dimethyl-2-oxobutane-1,1-diyl)di[quinoxalin-2(1H)-ones].