3-Methoxycarbonyl-6,7-dimethoxychinolin-1-oxid | 5278-36-4

• 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-Methoxycarbonyl-6,7-dimethoxychinolin-1-oxid
• 英文别名: 6,7-Dimethoxychinolin-1-oxid-3-carbonsaeuremethylester；methyl 6,7-dimethoxy-3-quinolinecarboxylate N-oxide；6,7-dimethoxy-1-oxy-quinoline-3-carboxylic acid methyl ester；methyl 6,7-dimethoxy-1-oxidoquinolin-1-ium-3-carboxylate
• CAS: 5278-36-4
• 化学式: C₁₃H₁₃NO₅
• 分子量: 263.25
• InChiKey: JCWWTWCVGSOFDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Methoxycarbonyl-6,7-dimethoxychinolin-1-oxid 、 3,3-Diamino-1-phenyl-2-propen-1-on 在 苯磺酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.33h， 以41%的产率得到3-amino-4-benzoyl-7,8-dimethoxybenzo[b]-1,6-naphthyridin-1(2H)-one
  参考文献：
  名称：

  3,3-二氨基-1-苯基丙烯酮与在位置3上具有亲电基团的吡啶和喹啉N-氧化物进行环缩合

  摘要：

  The cyclocondensation of the N-oxide of the methyl ester of nicotinic acid with 3,3-diamino-1-phenylpropenone and the ethyl ester of 3,3-diaminoacrylic acid in the presence of benzenesulfonyl chloride gives the corresponding 2,7-naphthyridines. The cyclocondensation of 3,3-diamino-1-phenylpropene with the N-oxides of dimethyl 3,5-pyridinedicarboxylate and quinolines containing an electrophilic group at in position 3 yields products of the nucleophilic attack of the carbon nucleophilic site of the enediamine at the 2-pyridine ring position, while the amine group binds to the exocyclic electrophilic group.

  DOI：

  10.1007/s10593-008-0062-0

文献信息

• Cyclocondensation of 3,3-diamino-1-phenylpropenone with pyridine and quinoline N-oxides containing an electrophilic group in position 3
  作者：D. V. Dar’in、S. I. Selivanov、P. S. Lobanov、A. A. Potekhin

  DOI：10.1007/s10593-008-0062-0

  日期：2008.4

  The cyclocondensation of the N-oxide of the methyl ester of nicotinic acid with 3,3-diamino-1-phenylpropenone and the ethyl ester of 3,3-diaminoacrylic acid in the presence of benzenesulfonyl chloride gives the corresponding 2,7-naphthyridines. The cyclocondensation of 3,3-diamino-1-phenylpropene with the N-oxides of dimethyl 3,5-pyridinedicarboxylate and quinolines containing an electrophilic group at in position 3 yields products of the nucleophilic attack of the carbon nucleophilic site of the enediamine at the 2-pyridine ring position, while the amine group binds to the exocyclic electrophilic group.