2,6-di>pyridine

• 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: 2,6-di>pyridine
• 英文别名: 2-[4-[[6-[[4-(2-Hydroxyethyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]piperazin-1-yl]ethanol
• 化学式: C₁₉H₃₃N₅O₂
• 分子量: 363.503
• InChiKey: MONCNTDKNABJBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  66.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-羟乙基哌嗪 、 2,6-二氯甲基吡啶 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以73%的产率得到2,6-di>pyridine
  参考文献：
  名称：

  Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine.

  摘要：

  4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene (L-1) and 2,6-di-{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine (L-2) were synthesized and their complex formation equilibria with alkaline-earth(II), Pr-III, Ni-II, Cu-II and Zn-II ions were studied with potentiometric techniques over the pH range 2.1-9.3 in 0.10 mol dm(-3) NaCl at 25 degrees C. The data indicate that whereas L-1 forms only [ML](2+/3+) complexes, L-2 forms [M(HXLY)]((2+X)+) (X = 0-2, Y = 1,2) and the hydrolysed [M(OH)(X)L](1+/0) (X = 1, 2) transition-metal(II) complexes. With Pr-III L-2 forms only [M(HL)](4+) and [M2L2](6+) complexes. L-2 contains the pyridine unit and is a much better complexing agent than L-1. The protonation of the ligands was studied by H-1 NMR in aqueous solution of 0.10 mol dm(-3) NaCl at 24 degrees C, L-2 crystallizes in, a monoclinic space group P2(1)/a, a = 9.998(2), b = 15.476(3), c = 12.957(3) Angstrom, beta = 92.64(2)degrees, The ligand shows a planar structure. Upon complexation, however, the 1-(2-hydroxyethyl)piperazine fragments may rotate around the bonds: C15-C17 and C10-C11 by ca. 180 degrees to create a pocket containing three nitrogen donor atoms the orientation of which is suitable for the coordination with metal ions.

  DOI：

  10.3891/acta.chem.scand.53-0194