Ethyl 5,13-dimethyl-12-oxo-8-phenyl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8,10-pentaene-11-carboxylate | 1031644-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Ethyl 5,13-dimethyl-12-oxo-8-phenyl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8,10-pentaene-11-carboxylate
• CAS: 1031644-13-9
• 化学式: C₂₀H₁₈N₄O₃
• 分子量: 362.388
• InChiKey: QWPBADPTMCLFNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  76.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲基吡唑 、 5-benzoyl-3-ethoxycarbonyl-1-methyl-6-methylthio-1,2-dihydropyridin-2-one 以 正己醇 为溶剂， 反应 4.0h， 以62%的产率得到Ethyl 5,13-dimethyl-12-oxo-8-phenyl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8,10-pentaene-11-carboxylate
  参考文献：
  名称：

  Cyclocondensation of 5-benzoyl-3-ethoxycarbonyl-6-methylthio-1-R-1,2-dihydropyrid-2-ones with heterocyclic N,N-and N,C-1,3-dinucleophiles

  摘要：

  [3+3] Cyclocondensation of 5-benzoyl-3-ethoxycarbonyl-6-methylthio-1-R-1,2-dihydropyrid-2-ones with heterocyclic N,N- and N,C-1,3-dinucleophiles proceeds regioselectively to give a series of new tri- and tetracyclic heterosystems, viz. derivatives of 5,6-dihydropyrazolo[1,5-a]pyrido[2,3-d]pyrimidin-6-one, 1,2-dihydropyrido[2,3-d]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-2-one, 8,9-dihydro-5H-pyrido[2,3-d]thiazolo[3,2-a]pyrimidin-8-one, 1,2-dihydrobenzo[4,5]imidazo[1,2-a]pyrido[2,3-d]pyrimidin-2- one, and 1,2-dihydrobenzo[4,5] imidazo[1,2-g][1,6]naphthyridin-2-one.

  DOI：

  10.1007/s10593-008-0142-1

文献信息

• Cyclocondensation of 5-benzoyl-3-ethoxycarbonyl-6-methylthio-1-R-1,2-dihydropyrid-2-ones with heterocyclic N,N-and N,C-1,3-dinucleophiles
  作者：V. N. Britsun、A. N. Esipenko、V. V. Piroghenko、M. O. Lozinskii

  DOI：10.1007/s10593-008-0142-1

  日期：2008.8

  [3+3] Cyclocondensation of 5-benzoyl-3-ethoxycarbonyl-6-methylthio-1-R-1,2-dihydropyrid-2-ones with heterocyclic N,N- and N,C-1,3-dinucleophiles proceeds regioselectively to give a series of new tri- and tetracyclic heterosystems, viz. derivatives of 5,6-dihydropyrazolo[1,5-a]pyrido[2,3-d]pyrimidin-6-one, 1,2-dihydropyrido[2,3-d]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-2-one, 8,9-dihydro-5H-pyrido[2,3-d]thiazolo[3,2-a]pyrimidin-8-one, 1,2-dihydrobenzo[4,5]imidazo[1,2-a]pyrido[2,3-d]pyrimidin-2- one, and 1,2-dihydrobenzo[4,5] imidazo[1,2-g][1,6]naphthyridin-2-one.