ethyl 2-[((6-aminopyridin-2-yl)amino)methylidene]-4,4,4-trifluoro-3-oxobutanoate | 1619985-72-6

• 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: ethyl 2-[((6-aminopyridin-2-yl)amino)methylidene]-4,4,4-trifluoro-3-oxobutanoate
• 英文别名: ethyl (2E)-2-[[(6-aminopyridin-2-yl)amino]methylidene]-4,4,4-trifluoro-3-oxobutanoate
• CAS: 1619985-72-6
• 化学式: C₁₂H₁₂F₃N₃O₃
• 分子量: 303.241
• InChiKey: HTELAVSTRACZPW-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.31
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,6-二氨基吡啶 、 乙氧基-2-亚甲基三氟乙酰乙酸乙酯 以 乙醇 为溶剂， 反应 20.0h， 以72%的产率得到
  参考文献：
  名称：

  Synthesis and properties of 2-azahetarylaminomethylidene 1,3-dicarbonyl compounds

  摘要：

  Reactions of 2-ethoxymethylidene 1,3-dicarbonyl compounds with pyridine-2,6- and pyrimidine-4,5-diamines gave the corresponding 2-hetarylaminomethylidene derivatives. Depending on the initial reactant structure, the formation of mono-and/or bis-condensation products is possible. Hetarylaminomethylidene derivatives showed a moderate tuberculostatic effect. 2-Pyridinylaminomethylidene 3-oxo esters were used as ligands to obtain coordination compounds with d- and f-metal ions.

  DOI：

  10.1134/s1070428014060165

文献信息

• Synthesis and properties of 2-azahetarylaminomethylidene 1,3-dicarbonyl compounds
  作者：Yu. S. Kudyakova、Ya. V. Burgart、V. I. Saloutin

  DOI：10.1134/s1070428014060165

  日期：2014.6

  Reactions of 2-ethoxymethylidene 1,3-dicarbonyl compounds with pyridine-2,6- and pyrimidine-4,5-diamines gave the corresponding 2-hetarylaminomethylidene derivatives. Depending on the initial reactant structure, the formation of mono-and/or bis-condensation products is possible. Hetarylaminomethylidene derivatives showed a moderate tuberculostatic effect. 2-Pyridinylaminomethylidene 3-oxo esters were used as ligands to obtain coordination compounds with d- and f-metal ions.