1-(4-carboxyphenyl)-2,5-dimethyl, 1H-pyrrole-3,4-dicarboxylic acid | 1381874-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(4-carboxyphenyl)-2,5-dimethyl, 1H-pyrrole-3,4-dicarboxylic acid
• 英文别名: H3pdcd；1-(4-Carboxyphenyl)-2,5-dimethylpyrrole-3,4-dicarboxylic acid；1-(4-carboxyphenyl)-2,5-dimethylpyrrole-3,4-dicarboxylic acid
• CAS: 1381874-83-4
• 化学式: C₁₅H₁₃NO₆
• 分子量: 303.271
• InChiKey: QSMSEUSCEXOHDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  579.4±50.0 °C(predicted)
• 密度：
  1.44±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  nickel(II) nitrate hexahydrate 、 双咪唑丁烷 、 1-(4-carboxyphenyl)-2,5-dimethyl, 1H-pyrrole-3,4-dicarboxylic acid 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到Ni(1-(4-carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate)(1,1'-(1,4-butanediyl)bis(imidazole)(H2O)*2H2O
  参考文献：
  名称：

  Modulated assembly of interdigitated 1D isolated tube and 2D highly undulating layer based on N-donor ligand and multidentate carboxylic acid

  摘要：

  Two coordination polymers, {[Zn(Hpdcd)(bbi)](DMSO)(2H(2)O)]}(n) (1) and {[Ni(Hpdcd)(bbi)center dot H2O]2H(2)O}(n) (2) (H(3)pdcd=1-(4-carboxyphenyl)-2,5-dimethyl, 1H-pyrrole-3,4-dicarboxylic acid, bbi=1,1'-(1,4-butanediyl) bis(imidazole)), have been solvothermally synthesized. 1 shows a 1D isolated tube with a 1D -> 2D interdigital structure, while 2 exhibits a 2D deeply corrugated layer with a novel (2D -> 3D) interdigitated architecture. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.02.004

文献信息

• Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid–base catalysts for the synthesis of chloropropene carbonate from CO₂ under atmospheric pressure
  作者：Chao Chen、Jun Zhang、Guanghua Li、Pan Shen、Haichao Jin、Ning Zhang

  DOI：10.1039/c4dt00908h

  日期：——

  including single-crystal X-ray diffraction. These two 1D linear chains possess the properties of both a Lewis acid and organic base, which was confirmed by temperature programmed desorption of ammonia and on-line mass spectrometry (NH3-TPD-MS), and selective sorption for carbon dioxide. Due to their acid–base properties, the compounds exhibited high catalytic activity, in the absence of co-catalysts

  两种新的配位聚合物，[Ni（H 2 O）（Hpdcd）（H 2 O）2 ]·DMF（1）和[Co（H 2 O）（Hpdcd）（H 2 O）2 ]·DMF（2）合成和表征了基于叔胺配体设计的（H 3 pdcd = 1-（4-羧苯基）-2,5-二甲基，1 H-吡咯-3,4-二羧酸） ，包括单晶X射线衍射。这两个1D线性链同时具有路易斯酸和有机碱的性质，这可以通过程序编程的氨解吸和在线质谱法（NH 3-TPD-MS）和对二氧化碳的选择性吸附。由于它们具有酸碱性质，因此在没有助催化剂的情况下，在大气CO 2压力下，由CO 2和表氯醇无溶剂合成碳酸氯丙烯酯时，该化合物表现出高催化活性。在优化条件下，碳酸氯丙烯酯的收率分别为1和2的88％和87％。
• Modulated assembly of interdigitated 1D isolated tube and 2D highly undulating layer based on N-donor ligand and multidentate carboxylic acid
  作者：Chuanqi Zhang、Chao Chen、Song Liu、Ning Zhang

  DOI：10.1016/j.inoche.2012.02.004

  日期：2012.6

  Two coordination polymers, [Zn(Hpdcd)(bbi)](DMSO)(2H(2)O)]}(n) (1) and [Ni(Hpdcd)(bbi)center dot H2O]2H(2)O}(n) (2) (H(3)pdcd=1-(4-carboxyphenyl)-2,5-dimethyl, 1H-pyrrole-3,4-dicarboxylic acid, bbi=1,1'-(1,4-butanediyl) bis(imidazole)), have been solvothermally synthesized. 1 shows a 1D isolated tube with a 1D -> 2D interdigital structure, while 2 exhibits a 2D deeply corrugated layer with a novel (2D -> 3D) interdigitated architecture. (C) 2012 Elsevier B.V. All rights reserved.