N-(2-{[(1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide

• 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: N-(2-{[(1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide
• 英文别名: 4-methyl-N-[2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]phenyl]benzenesulfonamide
• 化学式: C₂₄H₂₂N₄O₃S
• 分子量: 446.53
• InChiKey: IPRBJGNFACCXBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  90.87
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(2-{[(1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide 、 copper(II) acetate monohydrate 以 甲醇 、 乙腈 为溶剂， 以61%的产率得到[copper(II)(N-(2-{[(1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide(-2H))(H2O)]
  参考文献：
  名称：

  Electrochemical and chemical synthesis and structure of adducts (CH3OH and H2O) of metal chelates of N,N,O tridentate pyrazole-containing Schiff base

  摘要：

  Chemical and electrochemical synthesis of a series of cobalt(II), nickel(II), copper(II), and zinc(II) complexes of tridentate Schiff base (H2L), a product of condensation of N-(2-aminophenyl)-4-methylbenzenesulfonamide (2-tosylaminoaniline) with 1-phenyl-3-methyl-4-formylpyrazol-5-ol was accomplished. The structure and composition of metal-chelates were established by the C, H, N elemental analysis, IR, 1H NMR, EXAFS spectroscopy and magnetochemical data. The structures of all complexes were confirmed by of X-ray crystallography.

  DOI：

  10.1134/s0036023614050088
• 作为产物：
  描述：

  N-(2-氨基苯基)-4-甲基苯磺酰胺 、 5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 以 正丁醇 为溶剂， 反应 6.0h， 以89%的产率得到N-(2-{[(1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Electrochemical and chemical synthesis and structure of adducts (CH3OH and H2O) of metal chelates of N,N,O tridentate pyrazole-containing Schiff base

  摘要：

  Chemical and electrochemical synthesis of a series of cobalt(II), nickel(II), copper(II), and zinc(II) complexes of tridentate Schiff base (H2L), a product of condensation of N-(2-aminophenyl)-4-methylbenzenesulfonamide (2-tosylaminoaniline) with 1-phenyl-3-methyl-4-formylpyrazol-5-ol was accomplished. The structure and composition of metal-chelates were established by the C, H, N elemental analysis, IR, 1H NMR, EXAFS spectroscopy and magnetochemical data. The structures of all complexes were confirmed by of X-ray crystallography.

  DOI：

  10.1134/s0036023614050088

文献信息

• Electrochemical Synthesis, Properties, and Structure of 1,10-Phenanthroline Adducts of Mononuclear Copper, Cobalt, and Nickel Chelates in the N,N,O-Ligand Environment
  作者：D. A. Garnovskii、V. G. Vlasenko、G. G. Aleksandrov、S. I. Levchenkov、N. I. Makarova、Yu. V. Koshchienko、A. I. Uraev、A. S. Burlov

  DOI：10.1134/s1070328418100032

  日期：2018.10

  Abstract1,10-Phenanthroline (Phen) adducts [M(L)Phen] in copper(II), cobalt(II), and zinc(II) chelates based on N,N,O-tridentate tosylamino-functionalized pyrazole-containing Schiff base (H2L), resulting from condensation of 2-tosylaminoaniline with 3-methyl-1-phenyl-4-formylpyrazol-5-ol, were obtained by electrosynthesis. The composition and structure of the mixed-ligand complexes were confirmed by

  摘要基于N，N，O-三齿甲苯磺酰氨基官能化吡唑的席夫碱在铜（II），钴（II）和锌（II）螯合物中的1,10-邻菲咯啉（Phen）加合物[M（L）Phen]通过电合成获得2-甲苯磺酰基氨基苯胺与3-甲基-1-苯基-4-甲酰基吡唑-5-醇缩合得到的（H 2 L）。混合配体配合物的组成和结构通过元素分析，红外光谱和磁化学测量确定。通过X射线衍射确定了偶氮甲碱H 2 L和混合配体铜（II）配合物的结构。
• Electrochemical synthesis, structure, and photoluminescent properties of copper, zinc, and cadmium mixed-ligand complexes
  作者：D. A. Garnovskii、A. S. Antsyshkina、N. I. Makarova、V. G. Vlasenko、G. G. Sadikov、V. S. Sergienko、Ya. V. Zubavichus、S. I. Levchenkov、A. I. Uraev、A. S. Burlov

  DOI：10.1134/s0036023615120116

  日期：2015.12

  Copper(II), zinc(II), and cadmium(II) mixed-ligand complexes [M(L)(L-1)], (M = Cu (I), Cd (III)), [Zn(L)(L-1)(H2O)] (II) and [Cd(L)(L-2)] (IV)) on the basis of N-(2-[1-phenyl-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}phenyl)-4-methylbenzenesulfonamide (H2L), 2-amino-1-ethylbenzimidazole (L-1), and 2-aminopyrazine (L-2) were prepared by electrochemical method. The composition and structure of the obtained compounds were proved by the data of C, H, N, S elemental analysis, IR and H-1 NMR spectroscopy (for compounds II-IV), X-ray absorption spectroscopy (for compounds I and II), and magnetochemical measurements (for compound I), photoluminescent properties of complexes II-IV were also studied. The structure of compound II was determined by X-ray diffraction analysis.
• Electrochemical and chemical synthesis and structure of adducts (CH3OH and H2O) of metal chelates of N,N,O tridentate pyrazole-containing Schiff base
  作者：D. A. Garnovskii、A. S. Antsyshkina、A. V. Churakov、G. G. Sadikov、V. S. Sergienko、I. S. Vasil’chenko、A. I. Uraev、V. G. Vlasenko、Ya. V. Zubavichus、S. I. Levchenkov、Yu. V. Revinskii、A. S. Burlov

  DOI：10.1134/s0036023614050088

  日期：2014.5

  Chemical and electrochemical synthesis of a series of cobalt(II), nickel(II), copper(II), and zinc(II) complexes of tridentate Schiff base (H2L), a product of condensation of N-(2-aminophenyl)-4-methylbenzenesulfonamide (2-tosylaminoaniline) with 1-phenyl-3-methyl-4-formylpyrazol-5-ol was accomplished. The structure and composition of metal-chelates were established by the C, H, N elemental analysis, IR, 1H NMR, EXAFS spectroscopy and magnetochemical data. The structures of all complexes were confirmed by of X-ray crystallography.