dimethyl 1,3,4,7-tetrahydro-1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-6,7-dicarboxylate | 1360568-35-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: dimethyl 1,3,4,7-tetrahydro-1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-6,7-dicarboxylate
• 英文别名: dimethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6,7-dicarboxylate
• CAS: 1360568-35-9
• 化学式: C₁₉H₁₇N₃O₉
• 分子量: 431.359
• InChiKey: HYAKBRJDTAFDIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 、 丁炔二酸二甲酯 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到dimethyl 1,3,4,7-tetrahydro-1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-6,7-dicarboxylate
  参考文献：
  名称：

  One-pot synthesis of 2H-pyrano[2,3-d]pyrimidine derivatives

  摘要：

  The reaction between dialkyl acetylenedicarboxylate and a 1,1-diactivated alkene in the presence of Ph3P leads to 2H-pyrano[2,3-d]pyrimidine derivatives and highly substituted dialkyl (2E)-2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)arylmethyl]-2-butenedioate in fair to good yields at room temperature and under neutral conditions.

  DOI：

  10.1007/s00706-011-0602-7

文献信息

• One-pot synthesis of 2H-pyrano[2,3-d]pyrimidine derivatives
  作者：Mohammad Bayat、Yadollah Bayat、Soheila Shafei Asayesh

  DOI：10.1007/s00706-011-0602-7

  日期：2012.3

  The reaction between dialkyl acetylenedicarboxylate and a 1,1-diactivated alkene in the presence of Ph3P leads to 2H-pyrano[2,3-d]pyrimidine derivatives and highly substituted dialkyl (2E)-2-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)arylmethyl]-2-butenedioate in fair to good yields at room temperature and under neutral conditions.