1,2-dihydro-1,5-dimethyl-2-phenyl-4-formyl(benzhydrazide)-3H-pyrazol-3-one | 76644-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-dihydro-1,5-dimethyl-2-phenyl-4-formyl(benzhydrazide)-3H-pyrazol-3-one
• 英文别名: 2,3-dimethyl-4-formyl(benzhydrazide)-1-phenyl-3-pyrazoline-5-one；2,3-dimethyl-4-formyl(benzhydrazide)-1-phenyl-3-pyrazolin-5-one；Antipyrine-4-carboxaldehyde benzoylhydrazone；4-antipyraldehyde benzoylhydrazone；N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]benzamide
• CAS: 76644-54-7
• 化学式: C₁₉H₁₈N₄O₂
• 分子量: 334.378
• InChiKey: KWWDQDXKNRLKAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  yttrium(III) nitrate 、 1,2-dihydro-1,5-dimethyl-2-phenyl-4-formyl(benzhydrazide)-3H-pyrazol-3-one 以 甲醇 、 乙醇 为溶剂， 以89%的产率得到nitratobis[N'-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)methylidene)benzohydrazide-κ3-N'O,O]yttrium(III) dinitrate
  参考文献：
  名称：

  YTTRIUM AND LANTHANIDE NITRATE COMPLEXES OF 2,3-DIMETHYL-4-FORMYL(BENZ HYDRAZIDE)-1-PHENYL-3-PYRAZOLINE-5-ONE

  摘要：

  Complexes of yttrium and lanthanide nitrates with the Schiff base 2,3-dimethyl-4-formyl(benzhydrazide)-1-phenyl-3pyrazoline-5-one (L) have been synthesized and characterized by elemental analyses, electrical conductance in non-aqueous solvents and electronic as well as infrared spectra. The complexes have the general molecular formulae [Ln(L)(2)(NO3)]-(NO3)(2) (Ln = Y, La, Pr, Nd, Sm, Eu, Gd, Dy, Ho or Er). The ligand chelates with the metal ion in a neutral tridentate fashion through both carbonyl oxygens and the azomethine nitrogen in all of these complexes. One of the nitrate ions is monodentately coordinated and the other two remain as counter ions. A coordination number of seven is assigned to the metal in all of these complexes. The covalency parameters evaluated from solid and solution phase electronic spectra suggest weak covalent character of the metal-ligand bond.

  DOI：

  10.1081/sim-120004449
• 作为产物：
  描述：

  4-安替比林甲醛 、 苯甲酰肼 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以85%的产率得到1,2-dihydro-1,5-dimethyl-2-phenyl-4-formyl(benzhydrazide)-3H-pyrazol-3-one
  参考文献：
  名称：

  Radhakrishnan; Raju, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2005, vol. 44, # 9, p. 1812 - 1816

  摘要：

  DOI：

文献信息

• Ajithkumar; Radhakrishnan, Journal of the Indian Chemical Society, 2012, vol. 89, # 10, p. 1329 - 1333
  作者：Ajithkumar、Radhakrishnan

  DOI：——

  日期：——
• Complexes of Nickel(II) with 2,3‐Dimethyl‐4‐formyl(benzhydrazide)‐1‐phenyl‐3‐pyrazolin‐5‐one
  作者：K. C. Raju、P. K. Radhakrishnan

  DOI：10.1081/sim-120030430

  日期：2004.3

  Nickel(II) complexes of the Schiff base 2,3-dimethyl-4-formyl-(benzhydrazide)-1-phenyl-3-pyrazolin-5-one (L) with the formulae [Ni(L)(2) (ClO4)]ClO4, [Ni(L)(2)(NO3)](NO3), and [Ni(L)(2)X-2] (X = Cl, Br, or I) have been synthesized and characterized by elemental analyses, electrical conductance in nonaqueous solvents, infrared and electronic spectra as well as magnetic susceptibility measurements. In these complexes, L acts as a neutral bidentate ligand coordinating through the azomethine nitrogen and the carbonyl oxygen of the pyrazolone ring. In the perchlorate and nitrate complexes one of the anions is coordinated to the metal ion in a bidentate fashion while in the halide complexes both the anions are coordinated. An octahedral geometry is assigned around the nickel(II) ion in all these complexes.
• Complexes of Copper(II) with 2,3‐Dimethyl‐4‐formyl(benzhydrazide)‐1‐phenyl‐3‐pyrazolin‐5‐one
  作者：K. C. Raju、P. K. Radhakrishnan

  DOI：10.1081/sim-120024311

  日期：2003.1.10

  Copper(H) complexes of the Schiff base 2,3-dimethyl-4-formyl-(benzhydrazide)-1-phenyl-3-pyrazolin-5-one (L) of the general formula [Cu(L)(2)]X-2 (X = ClO4 or NO3), [Cu(L)Cl-2] and [Cu(L)(2)Br-2] have been synthesized and characterized by elemental analyses, electrical conductance in non-aqueous solvents, infrared, electronic and EPR spectra, as well as magnetic susceptibility measurements. fit these complexes, the ligand acts as a neutral bidentate unit coordinating through the azomethine nitrogen atom and the carbonyl oxygen of the pyrazolone ring. In the perchlorate and nitrate complexes both anions remain ionic, while in the corresponding halide complexes both anions are coordinated to the metal ion. The perchlorate, nitrate and chloride complexes are of square-planar Geometry while the bromide complex is of distorted octahedral geometry.
• Complexes of lanthanide perchlorates with two new “O,N,O” ligands derived from antipyraldehyde and acetic and benzoic acid hydrazides
  作者：R. Jagannathan、S. Soundararajan

  DOI：10.1016/0020-1650(81)80028-1

  日期：1981.1
• Complexes of lanthanide perchlorates with two new “ O,N,O ” ligands derived from antipyraldehyde and acetic and benzoic acid hydrazides
  作者：R. Jagannathan、S. Soundararajan

  DOI：10.1016/0020-1650(80)80014-6

  日期：1980.1