2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid | 1359827-13-6

• 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-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid
• 英文别名: 2-(3,4-Dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid
• CAS: 1359827-13-6
• 化学式: C₁₃H₁₂N₂O₄
• 分子量: 260.249
• InChiKey: DSZHLWCNZRXSLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  103.28
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid 在 strontium nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 96.0h， 以54.5%的产率得到
  参考文献：
  名称：

  取代的咪唑二羧酸盐构建的两个高度稳定的金属有机骨架的质子电导率令人印象深刻

  摘要：

  质子传导性金属有机骨架（MOF）在电化学领域的广阔应用前景引起了人们极大的兴趣。因此，寻求更多类型的具有高质子传导性的MOF非常重要。本文中，我们设计并制备了两个基于取代的咪唑二羧酸酯的MOF，{[Cd（p -TIPhH 2 IDC）2 ]·H 2 O} n [ 1 ; p -TIPhH 3 IDC = 2- p-（1 H -1,2,4-三唑基）苯基-1 H -4,5-咪唑二羧酸]和[Sr（DMPhH 2 IDC）2 ] n [ 2 ; 二甲基甲酰胺3 IDC = 2-（3,4-二甲基苯基）-1 H-咪唑-4,5-二羧酸]，并充分探索了它们在水辅助下的质子传导。在类似条件下，1.24×10 –4 S·cm –1中的1的最佳电导率高于大多数以前的Cd-MOF导电性。2在报告的导电Sr-MOF中具有最高的电导率（0.92×10 –3 S·cm –1）。通过结构分析，E a值，水蒸气吸附，粉末X

  DOI：

  10.1021/acs.inorgchem.9b00274

文献信息

• Two Novel Supramolecules Built by Dimethylphenyl Imidazole Dicarboxylate: Syntheses, Structures, and Thermal Properties
  作者：X. S. Lin、Y. L. Sang

  DOI：10.1134/s1070328418090051

  日期：2018.9

  AbstractBy solvothermal reactions of ZnSO4 ⋅ 7H2O and NiSO4 ⋅ 6H2O with 2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid (3,4-DMPhH3IDC), respectively, two supramolecular complexes, [Zn(3,4-DMPhHIDC)2(H2O)2]n (I) and [Ni(3,4-DMPhHIDC)2(H2O)2]n (II) have been successfully prepared and structurally characterized by single-crystal X-ray diffraction (CIF files CCDC nos. 1440305 (I) and 1440316

  摘要通过ZnSO 4 ·7H 2 O和NiSO 4 ·6H 2 O分别与2-（3,4-二甲基苯基）-1 H-咪唑-4,5-二羧酸（3,4-DMPhH 3 IDC）进行溶剂热反应，两个超分子络合物[Zn（3,4-DMPhHIDC）2（H 2 O）2 ] n（I）和[Ni（3,4-DMPhHIDC）2（H 2 O）2 ] n（II）已被已成功制备并通过单晶X射线衍射对其进行了结构表征（CIF文件CCDC号1440305（I）和1440316（II）），元素分析和红外光谱。结果表明，两种配合物中的配体3,4-DMPhH 3 IDC具有很强的配位能力，I和II的3D固态超分子结构涉及分子间氢键。还研究了复合物的热性质。
• Two dimethylphenyl imidazole dicarboxylate-based lanthanide metal–organic frameworks for luminescence sensing of benzaldehyde
  作者：Bingbing Shi、Yuanhao Zhong、Lili Guo、Gang Li

  DOI：10.1039/c4dt03326d

  日期：——

  Two novel dimethylphenyl imidazole dicarboxylate-based lanthanide(iii)-organic frameworks, [Ln(H₂DMPhIDC)₃(H₃DMPhIDC)]_n (Ln = Eu (1), Tb (2); H₃DMPhIDC = 2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid) have been synthesized under hydrothermal conditions.

  在水热条件下合成了两种新型的二甲基苯基咪唑二羧酸镧系(iii)有机框架材料，分别为[Ln(H₂DMPhIDC)₃(H₃DMPhIDC)]_n (Ln = Eu (1), Tb (2); H₃DMPhIDC = 2-(3,4-二甲基苯基)-1H-咪唑-4,5-二羧酸)。
• Five metal–organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties
  作者：Hongliang Jia、Yanlin Li、Zhifang Xiong、Chengjie wang、Gang Li

  DOI：10.1039/c3dt52910j

  日期：——

  Five metal–organic frameworks have been hydrothermally synthesized and structurally characterized.

  "已经通过水热合成并进行结构表征了五种金属有机框架材料。"
• Identification performance of two luminescent lanthanide–organic frameworks
  作者：Yin Qin、Junyang Feng、Shihang Yu、Jian Zhang、Zifeng Li、Gang Li

  DOI：10.1016/j.poly.2018.10.074

  日期：2019.3

  Abstract By the reaction of organic ligands, 2-(3,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxylic acid (H3DMPhIDC) and terephthalic acid (H2DCB) with Eu3+ or Tb3+ ions, respectively, two luminescent metal–organic frameworks (MOFs) [Ln(H2DMPhIDC)(DCB)]n [Ln = Eu (1); Tb (2)] have been constructed. Both MOFs 1 and 2 are isostructural and show two-dimensional structures, which were fully characterized by single

  摘要通过有机配体2-（3,4-二甲基苯基）-1H-咪唑-4,5-二羧酸（H3DMPhIDC）和对苯二甲酸（H2DCB）与Eu3 +或Tb3 +离子的反应，生成了两种发光的金属有机物。框架（MOF）[Ln（H2DMPhIDC）（DCB）] n [Ln = Eu（1）；Tb（2）]已构建。MOF 1和MOF 2均为同构结构，均显示二维结构，这些结构已通过单晶X射线衍射，元素分析和红外光谱进行了全面表征。两种MOF均具有出色的热稳定性和水稳定性，并显示出镧系元素金属的特征发光。重要的是，它们可以显着识别水溶液中的Fe3 +阳离子。根据结构分析，PXRD数据和UV-Vis测定，已提出了它们的传感机制。
• Proton conduction and impedance sensing of a highly stable copper–organic framework from imidazole dicarboxylate
  作者：Wanyao Chen、Chenglin Yang、Shihang Yu、Zifeng Li、Gang Li

  DOI：10.1016/j.poly.2018.11.015

  日期：2019.1

  We have successfully synthesized a novel one-dimensional MOF, [Cu-4(HDMPhIDC)(4)(H2O)(4)](n) (1) by solvothermal method with the ligand 2-(3,4-dimethyl)phenyl-4,5-imidazole dicarboxylic acid (H3DMPhIDC). After analyzing its crystal structure, we have verified water stability, acid-base stability and adsorption properties of 1. We have measured the proton conductivity of 1 under water vapor and found the proton conductivity of 1 being 2.58 x 10(-5) S.cm(-1) at 98% relative humidity (RH) and 100 degrees C. Interestingly, MOF 1 shows good ammonia identification. The minimum ammonia sensing concentration is 10 ppm to be recognized by 1 at 25 degrees C. The lower the RH is, the more apparent the identification for ammonia is. When RH is 85% and the ammonia concentration in the system increases from 0 to 60 ppm, the impedance value of 1 is reduced from 4.29 x 10(8) to 1.07 x 10(6) Omega with high response of 39993%. (C) 2018 Elsevier Ltd. All rights reserved.