5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid | 1187771-61-4

• 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-(1H-imidazol-4-ylmethyl)aminoisophthalic acid
• 英文别名: 5-(1H-imidazol-5-ylmethylamino)benzene-1,3-dicarboxylic acid
• CAS: 1187771-61-4
• 化学式: C₁₂H₁₁N₃O₄
• 分子量: 261.237
• InChiKey: YWRVPMZUQWDNNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid 、 silver nitrate 在 NaOH 作用下， 以 水 为溶剂， 以42%的产率得到[Ag(5-(1H-imidazoly-4-ylmethyl)aminoisophthalate)]
  参考文献：
  名称：

  New metal complexes with 5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid: Syntheses, structures, electrochemistry and electrocatalysis

  摘要：

  Three new coordination polymers {[Cu(HL)(H2O)]center dot H2O}(n) (1), [Ag(H2L)](n) (2), and {[Co(HL)(phen)(H2O)]center dot 8H(2)O}(n) (3) [H3L = 5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid, phen = 1,10-phenanthroline] have been synthesized under hydrothermal conditions. The results of X-ray diffraction analysis revealed that complex 1 displays (3, 3)-connected 2D network with (4, 8(2)) topology, while complexes 2 and 3 have infinite 1D chain structure, in which one of the two carboxylic groups of H2L-/HL2- is uncoordinated. The 2D layers of 1 or the 1D chains of 2 and 3 are further linked together by hydrogen bonds and pi-pi interactions to form 3D supramolecular frameworks. Moreover, the electrochemical properties of complexes 1 and 2 have been studied by modified glassy carbon electrodes of 1 (Cu-GCE) and 2 (Ag-GCE), and the results indicate that the Cu-GCE and Ag-GCE show one-electron redox peaks. In addition, both Cu-GCE and Ag-GCE have good electrocatalytic activities toward the reduction of H2O2 in phosphate buffer (pH 5.5) solution. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.048

文献信息

• New metal–organic architectures of cobalt(II), nickel(II) and zinc(II) with tripodal ligand 5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid
  作者：Jing Xu、Zheng-Shuai Bai、Taka-aki Okamura、Man-Sheng Chen、Wei-Yin Sun、Norikazu Ueyama

  DOI：10.1016/j.poly.2009.04.032

  日期：2009.8

  Four new coordination polymers [Ni(HL)(H2O)]center dot H2O}(n) (1), [Co(HL)(H2O)]center dot H2O}(n) (2), [Co(HL)]center dot 4H(2)O}(n) (3) and [Zn(HL)]center dot 2H(2)O center dot 0.5C(2)H(5)OH}(n) (4) [H3L = 5-(1H-imidazol-4-ylmethyl)aminoisophthalic acid] have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction analyses. Complexes 1 and 2 display (3, 3)-connected 2D network with (4, 8(2)) topology. While 3 and 4 exhibit a binodal (3, 6)-connected 2D network with a Schlafli symbol (4(3))(2)(4(6), 6(6), 8(3)). The complexes 1-4 show remarkable thermal stability and 4 exhibits blue fluorescence with maximum emission at 413 nm upon excitation at 362 nm in the solid state at room temperature. In addition, the magnetic measurements of 3 indicate that there are antiferromagnetic interactions between the neighboring Co(II) centers. (C) 2009 Elsevier Ltd. All rights reserved.