1-(2H-benzotriazol-2-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline | 354793-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(2H-benzotriazol-2-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline
• 英文别名: 2-(benzotriazol-2-yl)-1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)ethanone
• CAS: 354793-37-6
• 化学式: C₁₈H₁₇N₅O₂
• 分子量: 335.365
• InChiKey: XNFBOSYUCBFJAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [Cu2(OAc)4(H2O)2] 、 1-(2H-benzotriazol-2-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline 以 乙醇 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  SYNTHESIS OF 1-BENZOTRIAZOLYLACETYL-5-HYDROXY-3-METHYL-5-PHENYL-2-PYRAZOLINES AND THEIR TRANSITION METAL COMPLEXES

  摘要：

  1-(1H-Benzotriazol-1-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline (H2L1) and 1-(2H-benzotriazol-2-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline (H2L2) have been synthesized by condensing 1H-benzotriazol-1-acetic acid hydrazide or 2H-benzotriazol-2-acetic acid hydrazide with 1-phenyl-1,3-butanedione. Complexes of the type [ML](2) and [M(HL)(AcO)] [M = Zn(II), Cu(II), Ni(II)] have been prepared by refluxing the pyrazolines with the metal acetate hydrates in ethanol. The ligands and their complexes have been characterized by elemental analyses, IR, H-1 NMR and MS spectra. The spectra show that the ligands H2L1 and H2L2 coordinate as tridentate ligands through the enolic oxygens and the nitrogen of the azomethine group with opening of the pyrazoline rings.

  DOI：

  10.1081/sim-120003207

文献信息

• SYNTHESIS OF 1-BENZOTRIAZOLYLACETYL-5-HYDROXY-3-METHYL-5-PHENYL-2-PYRAZOLINES AND THEIR TRANSITION METAL COMPLEXES
  作者：Zenglu Liu、Yongqiang Tu

  DOI：10.1081/sim-120003207

  日期：2002.9.4

  1-(1H-Benzotriazol-1-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline (H2L1) and 1-(2H-benzotriazol-2-acetyl)-5-hydroxy-3-methyl-5-phenyl-2-pyrazoline (H2L2) have been synthesized by condensing 1H-benzotriazol-1-acetic acid hydrazide or 2H-benzotriazol-2-acetic acid hydrazide with 1-phenyl-1,3-butanedione. Complexes of the type [ML](2) and [M(HL)(AcO)] [M = Zn(II), Cu(II), Ni(II)] have been prepared by refluxing the pyrazolines with the metal acetate hydrates in ethanol. The ligands and their complexes have been characterized by elemental analyses, IR, H-1 NMR and MS spectra. The spectra show that the ligands H2L1 and H2L2 coordinate as tridentate ligands through the enolic oxygens and the nitrogen of the azomethine group with opening of the pyrazoline rings.