3,5-di(1H-imidazol-1-yl)benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-di(1H-imidazol-1-yl)benzoic acid
• 英文别名: 3,5-Di(1H-imidazol-1-yl)benzoic acid；3,5-di(imidazol-1-yl)benzoic acid
• 化学式: C₁₃H₁₀N₄O₂
• 分子量: 254.248
• InChiKey: YVDHOUKRHSCBOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 均苯四甲酸 、 3,5-di(1H-imidazol-1-yl)benzoic acid 在 NaOH 作用下， 以 水 为溶剂， 以63%的产率得到Co3(3,5-di(imidazol-1-yl)benozate)2(1,2,4,5-benzenetetracarboxylate)(H2O)2*2H2O
  参考文献：
  名称：

  Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks

  摘要：

  A three-dimensional (3D) coordination polymer, [Co-3(L)(2)(BTEC)(H2O)(2)]center dot 2H(2)O [1, HL = 3,5-di(imidazol-1-yl)benzoic acid, H4BTEC = 1,2,4,5-benzenetetracarboxylic acid], with tfz-d topology has been hydrothermally synthesized. The framework of 1 has high thermal stability and exhibits single-crystal-to-single-crystal (SCSC) transformations upon removing and rebinding the noncoordinated and coordinated water molecules. X-ray crystallographic analyses revealed that the coordination geometry of Co(II) changes from octahedral to square pyramid upon dehydration, accompanying the appearance of one-dimensional (1D) open channels with dimensions of 2.0 x 2.8 angstrom. The dehydrated form [Co-3(L)(2)(BTEC)] (2) exhibits highly selective adsorption of water molecules over N-2, CH3OH, and CH3CH2OH, which could be used as sensors for water molecules. Furthermore, the magnetic properties of 1 and 2 were investigated, showing the existence of ferromagnetic interaction between the Co(II) atoms within the trinuclear subunit.

  DOI：

  10.1021/ic101618n

文献信息

• WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS
  申请人：University of Limerick

  公开号：US20200030737A1

  公开（公告）日：2020-01-30

  A method of capturing water from a gaseous composition comprising water vapour (e.g., air), the method comprising: (a) providing a metal-organic material; and (b) contacting the metal-organic material with water and/or water vapour; wherein upon contact with water and/or water vapour the material switches from a first state to a second state wherein the second state is able to retain a higher amount of water than the first state.

  一种从含水蒸气（例如空气）中捕获水的方法，包括以下步骤：(a) 提供金属有机材料；和(b) 将金属有机材料与水和/或水蒸气接触；其中，在接触水和/或水蒸气时，该材料从第一状态切换到第二状态，第二状态能够比第一状态更多地保留水。
• Homochiral ferroelectric three-dimensional cadmium(II) frameworks from racemic camphoric acid and 3,5-di(imidazol-1-yl)benzoic acid
  作者：Zhi Su、Gao-Chao Lv、Jian Fan、Guang-Xiang Liu、Wei-Yin Sun

  DOI：10.1016/j.inoche.2011.11.015

  日期：2012.1

  Abstract Two three-dimensional (3D) chiral frameworks, [Cd6(L)4( d -Cam)4(H2O)4]·2H2O (1D) and [Cd6(L)4( l -Cam)4(H2O)4]·2H2O (1L) [HL = 3,5-di(imidazol-1-yl)benzoic acid, d -H2Cam = d -camphoric acid, l -H2Cam = l -camphoric acid], have been synthesized under hydrothermal conditions, which represent a nice example of enantioselectivity of organic racemic ligands ( dl -camphorates) during the self-assembly

  摘要 两个三维 (3D) 手性骨架 [Cd6(L)4( d -Cam)4(H2O)4]·2 (1D) 和 [Cd6(L)4( l -Cam)4( )4 ]·2 (1L) [HL = 3,5-二(咪唑-1-基)苯甲酸, d -H2Cam = d -樟脑酸, l -H2Cam = l -樟脑酸], 已在水热条件下合成，这代表了有机外消旋配体（dl-樟脑酸盐）在自组装过程和金属配合物形成过程中对映选择性的一个很好的例子。化合物 1D 和 1L 具有由 Cd(II) 阳离子和樟脑酸盐阴离子构建的手性链的 3D 框架。1D 和 1L 的固态圆二色性 (CD) 光谱表明它们是对映异构体。此外，具有手性 C2 空间群的配合物显示出铁电行为，残余电极化 (Pr) 为 ~ 0.140 μC/cm2，矫顽力场 (Ec) 为 ~ 17.11 kV/cm。
• Syntheses, structural diversity and photo-degradation and dye adsorption properties of novel Ni(II)/Co(II) coordination polymers modulated by 4-(4-carboxylphenylmethylthio)benzoic acid ligand
  作者：Chuanbin Fan、Ziao Zong、Xia Zhang、Baowei Su、Xiaoyin Zhang、Zheng Zhu、Caifeng Bi、Yuhua Fan

  DOI：10.1016/j.poly.2019.06.024

  日期：2019.9

  X-ray diffraction. Single-crystal X-ray diffraction analysis reveals that 1 features a 3D supermolecular structure in ABAB mode by H bonds (O⋯H⋯O) with a 2-fold interpenetrating sql topology framework and 2 displays a 3D supermolecular framework by H bonds (O⋯H⋯O) with a rarely fes topology. Moreover, the photo-degradation and dye adsorption properties of CPs 1–2 have been investigated. Importantly,

  摘要两种基于过渡金属的新型配位聚合物（CP），即[Ni2（4,4'-CPmb）2（4,4'-bbibp）2（H2O）4] n（1）和[Co（4,4 ''-HCPmb）（1,3-bib）] n（2）（柔性4,4'-H2CPmb = 4-（4-羧基苯基甲硫基）苯甲酸，刚性4,4'-bbibp = 4,4'-bis（已设计并在溶剂热条件下成功合成了苯并咪唑-1-基）联苯和1,3-Hbib = 1,3-双（1-咪唑-1-基）苯甲酸，并通过元素分析对其进行了表征，红外光谱，热重（TG）分析，粉末X射线衍射（PXRD）和单晶X射线衍射。单晶X射线衍射分析表明，1具有通过AB键模式的3D超分子结构（通过H键（O⋯H⋯O）和2倍互穿的sql拓扑框架），以及2显示3D超分子框架（通过H键（O） ⋯H⋯O）的Fes拓扑很少。此外，已经研究了CP 1–2的光降解和染料吸附特性。重要的是，2显示出良好的光降解和染料吸附性能。
• A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors
  作者：Jun Ying、Liang Jin、Hai-Yan Yu、Ai-Xiang Tian、Xiu-Li Wang

  DOI：10.1039/d1ce01195b

  日期：——

  [CdII(L1)2(HPMo12O40)]·2H2O (1), MII2(H2O)4(L1)2[H2(β-Mo8O26)]}n·xH2O (n = 1, x = 1, M = Co (2), Cu (3), Fe (4); n = 0.5, x = 0, M = Ni (5), Zn (6)). The organic component 3,5-bis-(2,5-dihydro-imidazole-1-yl)benzoic acid (L1) is a tripodal ligand containing two imidazole and one carboxylic acid group. The N donors in the imidazole groups and the O donors in the carboxylic acid group of L1 can coordinate

  通过改变过渡金属（TMs）和聚阴离子，水热法合成了六种多金属氧酸盐（POM）基配合物1-6，即[Cd II (L 1 ) 2 (HPMo 12 O 40 )]·2H 2 O ( 1 ), M II 2 (H 2 O) 4 (L 1 ) 2 [H 2 (β-Mo 8 O 26 )]} n · x H 2 O ( n = 1, x = 1, M = Co ( 2 ), 铜 (3 )、Fe( 4 )；n = 0.5, x = 0, M = Ni ( 5 ), Zn ( 6 ))。有机组分3,5-双-(2,5-二氢-咪唑-1-基)苯甲酸(L 1 )是含有两个咪唑和一个羧酸基团的三足配体。L 1的咪唑基团中的N供体和羧酸基团中的O供体可以与不同的过渡金属原子配位以构建基于POM的配合物。在复合物1 中，Keggin 阴离子通过 [Cd(L 1 ) 2 ] 2+亚基连接以构建链。配合物2-6与 [β-Mo8
• Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1<i>H</i>-imidazol-1-yl)benzoic acid ligand
  作者：Xiao-Yang Yu、Yanxin Lv、Xiaoyu Weng、Jiaqi Geng、Yanyan Yang、Hua Jin、Hao Cui、Bo Fu、Xiaoshu Qu、Hongfei Shi、Xueling Cao

  DOI：10.1039/d2ce01634f

  日期：——

  Five new inorganic–organic hybrid compounds, [Co2(HDIBA)2(DIBA)2(H2O)4]·HPW12O40·2H2O (1), [Ni2(HDIBA)2(DIBA)2(H2O)4]·HPW12O40 (2), [Ag(H2DIBA)2·PW12O40]·2H2O (3), [Ag(H2DIBA)2·PMo12O40]·2H2O (4) and [Ag(H2DIBA)2·HSiMo12O40]·2H2O (5) (HDIBA = 3,5-di(1H-imidazol-1-yl)benzoic acid), based on Keggin-type polyoxometalates (POMs) have been synthesized by a hydrothermal method. Their structures were characterized

  五种新的无机-有机杂化化合物，[Co 2 (HDIBA) 2 (DIBA) 2 (H 2 O) 4 ]·HPW 12 O 40 ·2H 2 O ( 1 ), [Ni 2 (HDIBA) 2 (DIBA) 2 (H 2 O) 4 ]·HPW 12 O 40 ( 2 ), [Ag(H 2 DIBA) 2 ·PW 12 O 40 ]·2H 2 O ( 3 ), [Ag(H 2 DIBA) 2 ·PMo 12O 40 ]·2H 2 O ( 4 ) 和[Ag(H 2 DIBA) 2 ·HSiMo 12 O 40 ]·2H 2 O ( 5 ) (HDIBA = 3,5-di(1 H -imidazol -1-yl)苯甲酸），基于 Keggin 型多金属氧酸盐（POMs），已通过水热法合成。通过单晶X射线衍射、元素分析、粉末X射线衍射、红外光谱和热重分析对其结构进行了表征。1的离散单元通过 π-π 堆叠和氢键相互作用进一步扩展为