5-(nicotinamido)isophthalic acid | 871039-16-6

• 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-(nicotinamido)isophthalic acid
• 英文别名: 5-(nicotinoylamino)isophthalic acid；H2NAIP；5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylic acid
• CAS: 871039-16-6
• 化学式: C₁₄H₁₀N₂O₅
• 分子量: 286.244
• InChiKey: ZFJMHVATDWGGME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  manganese(II) perchlorate hexahydrate 、 5-(nicotinamido)isophthalic acid 在 NaOH 作用下， 以 水 为溶剂， 以45%的产率得到Mn(5-(nicotinamido)isophthalate)(H2O)4*2H2O
  参考文献：
  名称：

  Synthesis, characterization and properties of some metal(II) 5-(nicotinamido)isophthalate complexes

  摘要：

  Four new complexes, {[M(NAIP)(H2O)(4)]center dot 2H(2)O}(n) (M = Co (1), M = Mn (2)). {[Zn(NAIP)]center dot 0.5H(2)O}(n) (3) and {Cd(NAIP)(H2O)(2)]center dot 1.5H(2)O}(n) (4) [H(2)NAIP = 5-(nicotinamido)-isophthalic acid] have been prepared and structurally characterized. The ligand NAIP(2-) exhibits different coordination modes and leads to the formation of various architectures. Complexes 1 and 2 show a one-dimensional (1D) zigzag chain, where hydrogen-bonding interactions further link these chains to a three dimensional (3D) supramolecular structure. For complex 3, a 3D coordination network with a four-coordinated Zn(II) and NAIP(2-) as a SBU was observed. Complex 4 presents a three-connected 2-fold interpenetrated 3D network with a (10, 3)-b net topology. Their luminescent and magnetic properties have been investigated in the solid state. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.05.020
• 作为产物：
  描述：

  5-氨基间苯二甲酸 、 氯化烟碱盐酸盐 以 N,N-二甲基乙酰胺 为溶剂， 反应 8.0h， 以70%的产率得到5-(nicotinamido)isophthalic acid
  参考文献：
  名称：

  通过沙漏多孔金属有机框架的选择性门效应实现不寻常的吸附行为和响应结构动力学†

  摘要：

  沙漏状多孔金属有机框架LIFM-12 ，构建在具有Cu 2+桨轮簇的T形柔性配体上，在可逆分子客体结合时显示出温度和气体吸附响应的结构动力学。温度依赖性单晶和粉末X射线衍射实验表明，具有适应性行为的框架的开门状态有利于气体分子的动力学扩散，导致不同尺寸的孔隙顺序填充，从而产生让人想起观察到的呼吸行为吸附等温线的几个步骤。此外，吸附研究表明， LIFM-12对 CO 2相对于轻质气体 N 2 、CH 4和 CO 的吸附选择性为 10-25，对于 C 3 H 6相对于CH 4 的吸附选择性高达 200。

  DOI：

  10.1039/c9ra07301a

文献信息

• Unusual adsorption behaviours and responsive structural dynamics <i>via</i> selective gate effects of an hourglass porous metal–organic framework
  作者：Ying Xiong、Yan-Zhong Fan、Zhang-Wen Wei、Cheng-Xia Chen、Sha Chen、Dawei Wang、Mihail Barboiu、Ji-Jun Jiang、Cheng-Yong Su

  DOI：10.1039/c9ra07301a

  日期：——

  An hourglass porous metal–organic framework, LIFM-12, constructed on a T-shaped flexible ligand with Cu2+ paddle-wheel clusters, shows temperature and gas adsorption responsive structural dynamics upon reversible molecular guest binding. Temperature-dependent single crystal and powder X-ray diffraction experiments show that the open gate status of the framework with adaptive behaviours facilitates

  沙漏状多孔金属有机框架LIFM-12 ，构建在具有Cu 2+桨轮簇的T形柔性配体上，在可逆分子客体结合时显示出温度和气体吸附响应的结构动力学。温度依赖性单晶和粉末X射线衍射实验表明，具有适应性行为的框架的开门状态有利于气体分子的动力学扩散，导致不同尺寸的孔隙顺序填充，从而产生让人想起观察到的呼吸行为吸附等温线的几个步骤。此外，吸附研究表明， LIFM-12对 CO 2相对于轻质气体 N 2 、CH 4和 CO 的吸附选择性为 10-25，对于 C 3 H 6相对于CH 4 的吸附选择性高达 200。
• Synthesis, characterization and properties of some metal(II) 5-(nicotinamido)isophthalate complexes
  作者：Xiu-Jun Deng、Wen Gu、Ling-Fei Zeng、Li Wang、Xin Liu

  DOI：10.1016/j.poly.2011.05.020

  日期：2011.8

  Four new complexes, [M(NAIP)(H2O)(4)]center dot 2H(2)O}(n) (M = Co (1), M = Mn (2)). [Zn(NAIP)]center dot 0.5H(2)O}(n) (3) and Cd(NAIP)(H2O)(2)]center dot 1.5H(2)O}(n) (4) [H(2)NAIP = 5-(nicotinamido)-isophthalic acid] have been prepared and structurally characterized. The ligand NAIP(2-) exhibits different coordination modes and leads to the formation of various architectures. Complexes 1 and 2 show a one-dimensional (1D) zigzag chain, where hydrogen-bonding interactions further link these chains to a three dimensional (3D) supramolecular structure. For complex 3, a 3D coordination network with a four-coordinated Zn(II) and NAIP(2-) as a SBU was observed. Complex 4 presents a three-connected 2-fold interpenetrated 3D network with a (10, 3)-b net topology. Their luminescent and magnetic properties have been investigated in the solid state. (C) 2011 Elsevier Ltd. All rights reserved.