1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine | 1582302-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine
• CAS: 1582302-54-2
• 化学式: C₂₀H₁₇N₅
• 分子量: 327.388
• InChiKey: JFGRHDAOYCUXMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.76
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  56.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine 以 乙腈 为溶剂， 反应 2.0h， 以72%的产率得到[Cu^I₂(1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine)₂][ClO₄]₂·CH₃CN·0.5H₂O
  参考文献：
  名称：

  Dinuclear double helicates assembled from a bis-bidentate ligand and Cu(I), Cu(II), Ag(I) and Cd(II) salts

  摘要：

  A new bis-bidentate ligand, 1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine (L-1), was designed and synthesized. The reactions of the ligand with [Cu(CH3CN)4]ClO4, Cu(ClO4)(2).6H(2)O, AgNO3 and Cd(NO3)(2).4H(2)O were carried out and dinuclear double helical complexes [(Cu2L21)-L-I][ClO4](2).CH3CN.0.5H(2)O (1), [(Cu2L21)-L-II(H2O)(CH3CN)][ClO4](4) (2), [(Ag2L21)-L-I](NO3)(2).CH3CN (3) and [(Cd2L21)-L-II(NO3)(4)].2H(2)O (4) were obtained and characterized by single crystal X-ray diffraction analyses, mass spectra, H-1 NMR, and UVVis spectra. A dinuclear complex [(Ni2L21)-L-II(DMF)(4)](ClO4)(4).H2O (5) was obtained by the reaction of the ligand with Ni(ClO4)(2).6H(2)O. The results indicate that the formation of helicates is influenced by the structure of the bidentate ligand and the coordination geometry of the metal ions.

  DOI：

  10.1016/j.poly.2014.02.001
• 作为产物：
  描述：

  2-[5-(溴甲基)吡啶-2-基]-5-甲基吡啶 、 2-(1H-吡唑-3-基)吡啶 在 四甲基氢氧化铵 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 24.0h， 以71%的产率得到1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine
  参考文献：
  名称：

  Dinuclear double helicates assembled from a bis-bidentate ligand and Cu(I), Cu(II), Ag(I) and Cd(II) salts

  摘要：

  A new bis-bidentate ligand, 1-[(5-methyl-2,2'-bipyridin-5'-yl)-methyl-1H-pyrazol-3-yl]-pyridine (L-1), was designed and synthesized. The reactions of the ligand with [Cu(CH3CN)4]ClO4, Cu(ClO4)(2).6H(2)O, AgNO3 and Cd(NO3)(2).4H(2)O were carried out and dinuclear double helical complexes [(Cu2L21)-L-I][ClO4](2).CH3CN.0.5H(2)O (1), [(Cu2L21)-L-II(H2O)(CH3CN)][ClO4](4) (2), [(Ag2L21)-L-I](NO3)(2).CH3CN (3) and [(Cd2L21)-L-II(NO3)(4)].2H(2)O (4) were obtained and characterized by single crystal X-ray diffraction analyses, mass spectra, H-1 NMR, and UVVis spectra. A dinuclear complex [(Ni2L21)-L-II(DMF)(4)](ClO4)(4).H2O (5) was obtained by the reaction of the ligand with Ni(ClO4)(2).6H(2)O. The results indicate that the formation of helicates is influenced by the structure of the bidentate ligand and the coordination geometry of the metal ions.

  DOI：

  10.1016/j.poly.2014.02.001