2-[1-[[4-[[3-(2-Hydroxyphenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenol | 850874-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[1-[[4-[[3-(2-Hydroxyphenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenol
• CAS: 850874-62-3
• 化学式: C₂₆H₂₂N₄O₂
• 分子量: 422.486
• InChiKey: SQPZYDOCVITOEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[1-[[4-[[3-(2-Hydroxyphenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenol 、 copper(II) acetate monohydrate 在 (C₂H₅)3N 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  Bis-bidentate bridging ligands containing two N,O-chelating pyrazolyl-phenolate units; double helical complexes with Co(II), Cu(II) and Zn(II)

  摘要：

  Two ligands have been prepared in which N, O-bidentate chelating pyrazolyl-phenolate units, based on 3-(2-hydroxyphenyl)pyrazole, are connected via methylene linkages to aromatic (1,4-phenylene or 3,3'-biphenylene) spacers. In each case the two N, O-donor units are too far apart to chelate to a single metal ion. Complexes of both ligands with Co(II), Cu(II) and Zn(II) were prepared and structurally characterised; in all cases the complexes are dinuclear double helicates M2L2, with each four-coordinate metal ion bound by a chelating unit from each of the two ligands in the complex. For Co(II) and Zn(II) the two M(NO) planes at each metal are close to perpendicular, indicative of a geometry which may be described as approximately distorted tetrahedral; for the Cu(II) complexes the angle between the two Cu(NO) planes is less, indicative of a distortion towards a more planar coordination geometry. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.009