6',7'-dihydro-1'H,5'H,11'H-dispiro[cyclohexane-1,2'-pyrimido[1,2,3-ij][1,8]naphthyridine-10',1''-cyclohexane]-1',3',9',11'-tetraone | 1039339-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6',7'-dihydro-1'H,5'H,11'H-dispiro[cyclohexane-1,2'-pyrimido[1,2,3-ij][1,8]naphthyridine-10',1''-cyclohexane]-1',3',9',11'-tetraone
• CAS: 1039339-75-7
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: FSPOZHZDHLOBEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基-1,4,5,6-四氢嘧啶 、 1,1-环己烷二羰基二氯化物 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以65%的产率得到6',7'-dihydro-1'H,5'H,11'H-dispiro[cyclohexane-1,2'-pyrimido[1,2,3-ij][1,8]naphthyridine-10',1''-cyclohexane]-1',3',9',11'-tetraone
  参考文献：
  名称：

  Tandem Reactions of 1,3-Diacid Chlorides with 2-Methylimidazoline and 2-Methyl-1,4,5,6-tetrahydropyrimidine: One-Pot Synthesis of 1,8-Naphthyridinetetraones

  摘要：

  The reactions of 2-methylimidazoline and 2-methyl-1,4,5,6-tetrahydropyrimidine with 1,3-diacid chlorides, in the presence of Et(3)N in refluxing MeCN give highly functionalized potentially bioactive 1,8-naphthyridinetetraones. 2-Methylimidazoline and 2-methyl-1,4,5,6-tetrahydropyrimidine can be viewed as tridentate nucleophiles which give four consecutive tandem nucleophilic attacks on electrophiles.

  DOI：

  10.1021/jo8009177

文献信息

• Tandem Reactions of 1,3-Diacid Chlorides with 2-Methylimidazoline and 2-Methyl-1,4,5,6-tetrahydropyrimidine: One-Pot Synthesis of 1,8-Naphthyridinetetraones
  作者：Guozhong Ye、Aihua Zhou、William P. Henry、Yingquan Song、Sabornie Chatterjee、Debbie J. Beard、Charles U. Pittman, Jr.

  DOI：10.1021/jo8009177

  日期：2008.7.1

  The reactions of 2-methylimidazoline and 2-methyl-1,4,5,6-tetrahydropyrimidine with 1,3-diacid chlorides, in the presence of Et(3)N in refluxing MeCN give highly functionalized potentially bioactive 1,8-naphthyridinetetraones. 2-Methylimidazoline and 2-methyl-1,4,5,6-tetrahydropyrimidine can be viewed as tridentate nucleophiles which give four consecutive tandem nucleophilic attacks on electrophiles.