4-[(E)-N-[3-[(E)-[(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)-phenyl-methylene]amino]phenyl]-C-phenyl-carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-ol | 154048-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(E)-N-[3-[(E)-[(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)-phenyl-methylene]amino]phenyl]-C-phenyl-carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-ol
• 英文别名: 4-[N-[3-[[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-phenylmethylidene]amino]phenyl]-C-phenylcarbonimidoyl]-5-methyl-2-phenylpyrazol-3-ol
• CAS: 154048-61-0
• 化学式: C₄₀H₃₂N₆O₂
• 分子量: 628.733
• InChiKey: LACFFSFMNDAEBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  48
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  硫酸氧钒水合物 、 4-[(E)-N-[3-[(E)-[(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)-phenyl-methylene]amino]phenyl]-C-phenyl-carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-ol 以 乙醇 、 水 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  OXOVANADIUM(IV) COMPLEXES OF BIOINORGANIC AND INDUSTRIAL RELEVANCE: SYNTHESIS AND CHARACTERIZATION OF SOME OXOVANADIUM(IV) COMPLEXES INVOLVING SCHIFF BASES DERIVED FROM BIOLOGICALLY ACTIVE 4-BENZOYL-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE AND CERTAIN AROMATIC AMINES

  摘要：

  Seven new oxovanadium(IV) complexes, formed by the interaction of vanadyl sulfate pentahydrate and the Schiff bases, viz., N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-p-anisidine (HL1), N-(4'-benzoylidene-3methyl-l'-phenyl-2'-pyrazolin-5'-one)-in-phenitidine (HL2), N-(4'-benzoylidene-3-methyl-1'-phenyl-2-pyrazolin-5-one)3 p-toluidine (HL), N,N-(4'-benzoylidene-3'-methyl-1'-phenyl- 4) 2'-pyrazolin-5'-one)-o-phenylenediamine (H,L, N,N-(4'-benzoylidene-3-methyl-1'-phenyl-2-pyrazolin-5'-one)-in-phenylenediamine (H2L5), N,N-(4'-benzoylidene-3-methyl-1'-phenyl-2'-pyrazolin-5'-one)-p-phenylenediamine (H2L6) and N,N-(4'-benzoylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one) -benzidine (H2L7) in aqueous-ethanol, are described. The resulting complexes were characterized by elemental analyses, molar conductances, magnetic and decomposition temperature measurements, electron spin resonance, IR and electronic spectral studies. They have the compositions, [VO(L')(2)(H2O)], where HL'=HL1, HL2 or HL3, [VO(L") (H2O)], where H2L"=H2L4 or H2L5 and [{VO(H2O) (OH)}(2)(L"')], where H2L"' = H2L6 or H2L7. The compounds [{VO(H2O)(OH)}(2)(L-6)] and [{VO(H2O)(OH)}(2)(L-7)] were found to show subnormal magnetic moments. Suitable structures have been proposed for these complexes.

  DOI：

  10.1081/sim-120003205