8-ethyl 2-methyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2,8-dicarboxylate | 1589518-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 8-ethyl 2-methyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2,8-dicarboxylate
• 英文别名: 8-O-ethyl 2-O-methyl 4-oxopyrido[1,2-a]pyrimidine-2,8-dicarboxylate
• CAS: 1589518-32-0
• 化学式: C₁₃H₁₂N₂O₅
• 分子量: 276.249
• InChiKey: KHLYQQVEYIPOTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  85.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基异烟酸乙酯 、 丁炔二酸二甲酯 以 水 为溶剂， 反应 6.0h， 以72%的产率得到8-ethyl 2-methyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2,8-dicarboxylate
  参考文献：
  名称：

  Catalyst-free synthesis of alkyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylate derivatives on water

  摘要：

  An environmentally friendly and effective method to construct 4H-pyrido[1,2-a]pyrimidin-4-one, which are ubiquitous structural units in a number of biologically active compounds has been developed. In this process, the reaction using water as the solvent in absence of catalyst under the mild conditions makes transformations very green, practical, and attractive. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.084

文献信息

• Catalyst-free synthesis of alkyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxylate derivatives on water
  作者：Hao Yan、Ying Ma、Yuanjun Sun、Chao Ma、Yuling Wang、Xiaoyu Ren、Guosheng Huang

  DOI：10.1016/j.tet.2014.02.084

  日期：2014.4

  An environmentally friendly and effective method to construct 4H-pyrido[1,2-a]pyrimidin-4-one, which are ubiquitous structural units in a number of biologically active compounds has been developed. In this process, the reaction using water as the solvent in absence of catalyst under the mild conditions makes transformations very green, practical, and attractive. (C) 2014 Elsevier Ltd. All rights reserved.