4-methyl-5-[(4-nitrophenyl)hydrazono]-2,6-dioxo-3-cyano-1,2,5,6-tetrahydropyridine | 796874-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl-5-[(4-nitrophenyl)hydrazono]-2,6-dioxo-3-cyano-1,2,5,6-tetrahydropyridine
• 英文别名: 3-(azaniumylidynemethyl)-4-methyl-5-[(4-nitrophenyl)hydrazinylidene]-6-oxopyridin-2-olate
• CAS: 796874-81-2
• 化学式: C₁₃H₉N₅O₄
• 分子量: 299.246
• InChiKey: RMQFKWVOGHYFFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  137.49
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-methyl-5-[(4-nitrophenyl)hydrazono]-2,6-dioxo-3-cyano-1,2,5,6-tetrahydropyridine 、 水 、 copper dichloride 以 丙酮 为溶剂， 生成 Cu(4-methyl-5-[(4-nitrophenyl)hydrazono]-2,6-dioxo-3-cyano-1,2,5,6-tetrahydropyridine(-1H))_2*2H₂O
  参考文献：
  名称：

  Coordination compounds of some d metals with nitrophenylhydrazone oxopyridine (pyrimidine) derivatives: Crystal and molecular structure of C10H9N5O6

  摘要：

  Twelve new d-metal complexes with 5-[(4-nitrophenyl)hydrazo]pyrimidine-2,4,6-trione (HL1) and 4-methyl-5-[4-nitrophenylhydrazo]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitryl (HL2) have been synthesized and separated out in the crystalline state. The crystal and molecular structures of HL1 have been solved by X-ray diffraction analysis. The organic molecule exists in the crystalline state as a planar hydrazo tautomer stabilized by intramolecular hydrogen bonds. Metal coordination is bidentate chelate. The acid-base equilibria and complexation of the ligands in solutions have been studied, and the complexation constants have been found.

  DOI：

  10.1134/s0036023613040086

文献信息

• Coordination compounds of some d metals with nitrophenylhydrazone oxopyridine (pyrimidine) derivatives: Crystal and molecular structure of C10H9N5O6
  作者：O. V. Kovalchukova、A. V. Churakov、S. B. Strashnova、Al-Tahan Rana Abdulillah Abbas、V. S. Sergienko、D. N. Kuznetsov、K. I. Kobrakov

  DOI：10.1134/s0036023613040086

  日期：2013.4

  Twelve new d-metal complexes with 5-[(4-nitrophenyl)hydrazo]pyrimidine-2,4,6-trione (HL1) and 4-methyl-5-[4-nitrophenylhydrazo]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitryl (HL2) have been synthesized and separated out in the crystalline state. The crystal and molecular structures of HL1 have been solved by X-ray diffraction analysis. The organic molecule exists in the crystalline state as a planar hydrazo tautomer stabilized by intramolecular hydrogen bonds. Metal coordination is bidentate chelate. The acid-base equilibria and complexation of the ligands in solutions have been studied, and the complexation constants have been found.