N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide | 390375-10-7

• 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-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide
• 英文别名: N-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-phenylmethylidene]amino]pyridine-3-carboxamide
• CAS: 390375-10-7
• 化学式: C₂₃H₁₉N₅O₂
• 分子量: 397.436
• InChiKey: ASIZPVOLPFIJLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  86.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 1.0h， 以60%的产率得到[Cd(N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide-H)₂]_n
  参考文献：
  名称：

  Structural diversity and properties of four complexes with 4-acyl pyrazolone derivative

  摘要：

  Four new complexes {[Zn(HL)(H2O)(DMF)](NO3)}(n) (1), [Cd(HL)(2)](n) (2), {[Mn(HL)(2)]center dot CH3CN center dot 2H(2)O} (3) and {[Mn(L)(mu(2)-EtOH)]}(n) (4) (H2L = N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide) have been synthesized and characterized by elemental analyses, IR spectra, thermal analyses and single crystal X-ray diffraction. The structural analyses reveal that complexes 1, 2 and 3, formed by H2L with metal nitrate, have Zigzag chain, double-stranded chain and mononuclear structures, respectively, and the ligands adopt three different coordination modes in these complexes. While, complex 4, formed by H2L with manganese acetate, represents a 2D network structure with dinuclear units bridged by ethanol molecules. These result demonstrated that the metal atom and counteranion have certain influences on the structures of resulting complexes. In addition, the fluorescent properties of 1 and 2 and the magnetism of 4 were investigated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.03.024
• 作为产物：
  描述：

  3-吡啶甲酰肼 、 4-苯甲酰基-1,2-二氢-5-甲基-2-苯基-3H-吡唑-3-酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以84%的产率得到N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide
  参考文献：
  名称：

  Structural diversity and properties of four complexes with 4-acyl pyrazolone derivative

  摘要：

  Four new complexes {[Zn(HL)(H2O)(DMF)](NO3)}(n) (1), [Cd(HL)(2)](n) (2), {[Mn(HL)(2)]center dot CH3CN center dot 2H(2)O} (3) and {[Mn(L)(mu(2)-EtOH)]}(n) (4) (H2L = N-(1-phenyl-3-methyl-4-benzal-pyrazolone-5)-nicotinic hydrazide) have been synthesized and characterized by elemental analyses, IR spectra, thermal analyses and single crystal X-ray diffraction. The structural analyses reveal that complexes 1, 2 and 3, formed by H2L with metal nitrate, have Zigzag chain, double-stranded chain and mononuclear structures, respectively, and the ligands adopt three different coordination modes in these complexes. While, complex 4, formed by H2L with manganese acetate, represents a 2D network structure with dinuclear units bridged by ethanol molecules. These result demonstrated that the metal atom and counteranion have certain influences on the structures of resulting complexes. In addition, the fluorescent properties of 1 and 2 and the magnetism of 4 were investigated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.03.024