5-(4-methoxyanilinomethylene)-1,3-dimethylbarbituric acid

• 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: 5-(4-methoxyanilinomethylene)-1,3-dimethylbarbituric acid
• 英文别名: 5-[(4-methoxyanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• 化学式: C₁₄H₁₅N₃O₄
• 分子量: 289.291
• InChiKey: BGLDGAUJNFIFCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.04
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  78.95
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  palladium diacetate 、 5-(4-methoxyanilinomethylene)-1,3-dimethylbarbituric acid 以 甲醇 为溶剂， 反应 4.0h， 以46%的产率得到
  参考文献：
  名称：

  1,3-二甲基巴比妥酸盐的烯胺及其对称钯 (II) 配合物：合成、表征和生物活性

  摘要：

  制备了三种 1,3-二甲基巴比妥酸酯-烯胺衍生物及其对称的钯 (II) 配合物，并通过光谱方法对其进行了表征。此外，配合物的结构是通过单晶 X 射线衍射确定的。X 射线衍射研究表明，每个复合物中 Pd(II) 原子周围的几何形状几乎是完美的方形平面。此外，还测试了配体及其钯（II）配合物对各种临床和食源性微生物的抗真菌和抗菌活性，揭示了有希望的生物活性。

  DOI：

  10.1007/s11243-019-00305-7
• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 在 哌啶 作用下， 以 异丙醇 为溶剂， 反应 0.16h， 生成 5-(4-methoxyanilinomethylene)-1,3-dimethylbarbituric acid
  参考文献：
  名称：

  Rapid microwave-assisted solution phase synthesis of substituted 2-pyridone libraries

  摘要：

  2-Pyridone and 2-quinolone analogues are well-known biologically active heterocyclic scaffolds. Libraries of 3,5,6-substituted 2-pyridone derivatives are generated by rapid microwave assisted solution phase methods using a one-pot, two-step protocol. The three-component condensation of CH-acidic carbonyl compounds, NN-dimethylformamide dimethylacetal and methylene active nitriles, leads to 2-pyridones and fused analogues in moderate to good overall yields and high purities. The proposed mechanism of this novel multicomponent reaction, structure elucidation of products and intermediates are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.05.100

文献信息

• Enamines of 1,3-dimethylbarbiturates and their symmetrical palladium(II) complexes: synthesis, characterization and biological activity
  作者：Rukiye Fırıncı、Erkan Fırıncı、Gamze Başbülbül、Mustafa Berk Dabanca、Duygu Barut Celepci、M. Emin Günay

  DOI：10.1007/s11243-019-00305-7

  日期：2019.5

  ine derivatives and their symmetrical palladium(II) complexes were prepared and characterized by spectroscopic methods. In addition, the structures of the complexes were determined by single-crystal X-ray diffraction. The X-ray diffraction studies revealed the geometry around the Pd(II) atom in each complex is almost perfectly square-planar. Also, the ligands and their palladium(II) complexes were

  制备了三种 1,3-二甲基巴比妥酸酯-烯胺衍生物及其对称的钯 (II) 配合物，并通过光谱方法对其进行了表征。此外，配合物的结构是通过单晶 X 射线衍射确定的。X 射线衍射研究表明，每个复合物中 Pd(II) 原子周围的几何形状几乎是完美的方形平面。此外，还测试了配体及其钯（II）配合物对各种临床和食源性微生物的抗真菌和抗菌活性，揭示了有希望的生物活性。
• Rapid microwave-assisted solution phase synthesis of substituted 2-pyridone libraries
  作者：Nikolay Yu. Gorobets、Behrooz H. Yousefi、Ferdinand Belaj、C.Oliver Kappe

  DOI：10.1016/j.tet.2004.05.100

  日期：2004.9

  2-Pyridone and 2-quinolone analogues are well-known biologically active heterocyclic scaffolds. Libraries of 3,5,6-substituted 2-pyridone derivatives are generated by rapid microwave assisted solution phase methods using a one-pot, two-step protocol. The three-component condensation of CH-acidic carbonyl compounds, NN-dimethylformamide dimethylacetal and methylene active nitriles, leads to 2-pyridones and fused analogues in moderate to good overall yields and high purities. The proposed mechanism of this novel multicomponent reaction, structure elucidation of products and intermediates are discussed. (C) 2004 Elsevier Ltd. All rights reserved.