N'-[(E)-(2-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide | 1266547-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N'-[(E)-(2-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
• 英文别名: N'-(2-Hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide；N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
• CAS: 1266547-90-3
• 化学式: C₁₂H₁₂N₄O₂
• 分子量: 244.253
• InChiKey: CESBSEAURWKLQQ-NTUHNPAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium carbonate 、 水 、 bis(acetylacetonate)oxovanadium 、 N'-[(E)-(2-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide 以 乙醇 、 水 为溶剂， 以75%的产率得到[(N'-[(E)-(2-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide-2H)VO2Na(H2O)3].infin.
  参考文献：
  名称：

  Alkali metal ion mediated self-assembly of vanadium(V) ions and pyrazole based polydentate ligands leading to the formation of helix, double helix and supramolecular cage-like structures

  摘要：

  The anionic cis-dioxovanadium(V) complex species LVO2- and L1VO2- of two tridentate ONO ligands (H2L and H2L1) can bind alkali metal ions in a bis-monodentate fashion like a bridging carboxylate group. Here H2L (N'-[(E)-(2-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide) and H2L1 (N'-[(1E)-1-(2-hydroxyphenyl) ethylidene]-3-methyl-1H-pyrazole-5-carbohydrazide) are Schiff base ligands generated by the condensation of 5-methyl 3-pyrazole carbohydrazide with salicylaldehyde and o-hydroxy acetophenone. The six products thus obtained are water soluble polymeric compounds in which the complementary units are held together by the simultaneous use of hydrogen bonding and coulombic interactions. [L1VO2Li(H2O)(2)](infinity) (2), [LVO2Na(H2O)(2)](infinity) (3) and [LVO2K(H2O)(2)](infinity) (5) have been crystallographically characterized. Crystallographic characterization reveals that 2 and 3 are polymeric helicates and 5 is a polymeric cluster with L1VO2- or LVO2- units bridging the labile alkali metal ions which occupy positions on the axis of the polymeric chain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.10.017