5-((pyridine-3-ylmethyl)amino)isophthalic acid | 1254519-64-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-((pyridine-3-ylmethyl)amino)isophthalic acid
• 英文别名: 5-(Pyridin-3-ylmethylamino)benzene-1,3-dicarboxylic acid；5-(pyridin-3-ylmethylamino)benzene-1,3-dicarboxylic acid
• CAS: 1254519-64-6
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: UQFUGLZHIVSSJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  99.5
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dysprosium(III) nitrate hexahydrate 、 5-((pyridine-3-ylmethyl)amino)isophthalic acid 、 水 在 NaOH 作用下， 以 水 为溶剂， 以40%的产率得到[Dy(5-((pyridine-3-ylmethyl)amino)isophthalate)(5-((pyridine-3-ylmethyl)amino)isophthalic acid(-H))]*2H2O
  参考文献：
  名称：

  A new dysprosium(III) complex based on novel pyridyl-carboxylate ligand: Hydrothermal synthesis, crystal structures and distinctive new topology

  摘要：

  One novel dysprosium(III) complex exhibiting distinctive new two-dimensional (2D) topological net based on pyridyl-carboxylate ligand, namely DyL(HL)center dot 2H(2)O (1) (H2L = 5-((pyridine-3-ylmethyl)amino)isophthalic acid), was obtained by the reactions of the dysprosium nitrate with H2L under hydrothermal condition. In the structure of complex 1, the metal centers act as rare 5-connected topological blocks and the 2D layer consisted of mu(2)/mu(3)-ligands and 5-connected Dy(III) centers is the first example of 2-nodal net of (4(2).6)(4(2).6(7).8) topology. In complex 1, the 2D layers are further stacked to form its three-dimensional structure, which is stabilized by abundant non-covalent interactions including pi center dot center dot center dot pi interactions between its aromatic benzene and pyridine rings as well as various hydrogen bonds. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.05.004