4-[1-(4-ethoxy-anilino)-ethylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one | 67867-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[1-(4-ethoxy-anilino)-ethylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
• 英文别名: 4-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
• CAS: 67867-66-7
• 化学式: C₂₀H₂₁N₃O₂
• 分子量: 335.406
• InChiKey: HJCHOXLGQZEHDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonato)dioxidomolybdenum(VI) 、 4-[1-(4-ethoxy-anilino)-ethylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one 以 乙醇 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Synthesis and Spectral Studies of Novel Dioxomolybdenum(VI) Heterochelates Involving some Schiff Bases Derived from 4-Acetyl-3-Methyl-1-Phenyl-2-Pyrazolin-5-One

  摘要：

  The synthesis and physico-chemical studies of some <(cis)under bar>-dioxomolybdenum(VI) heterochelates with potentially bidentate and tetradentate Schiff base ligands derived from 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one have been described. The bidentate Schiff bases were synthesized by the reaction of 4-acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one with aromatic amines, viz., (o) under bar-anisidine, (m) under bar-anisidine, (p) under bar-anisidine, (o) under bar-phenetidine, (p) under bar-phenetidine, (o) under bar-toluidine and (m) under bar-toluidine in ethanol. For tetradentate Schiff bases, amines such as, (m) under bar-phenylenediamine, (p) under bar-phenylenediamine and benzidine were used. The bi- and tetradentate Schiff bases thus obtained were reacted with the parent compound, bis(acetylacetonato)dioxomolybdenum(VI), in the stoichiometric ration (2:1 for bidentate and 1:1 for tetradentate Schiff bases) to give diamagnetic molybdenum(VI) mononuclear complexes of the compositions [MoO2(L)(2)] (where LH = bidentate Schiff base) and the ligand bridged binuclear complexes [{MoO2(OEt)}(2)(L)] (where LH(2) = tetradentate Schiff base derived from benzidine or (p) under bar-phenylenediamine) and [MoO2(AMPHP-MPHD)] (where AMPHP-MPHD = Schiff base of (m) under bar-phenylenediamine). Suitable structures have been proposed for these complexes.

  DOI：

  10.1080/00945719708000184