1,4-双((2-(吡啶-2-基)-1H-咪唑-1-基)甲基)苯 | 1026696-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1,4-双((2-(吡啶-2-基)-1H-咪唑-1-基)甲基)苯
• 英文名称: 1,4-bis((2-(pyridin-2-yl)-1H-imidazol-1-yl)methyl)benzene
• 英文别名: 1,4-bis[2-(2-pyridyl)imidazol-1-ylmethyl]benzene；2-[1-[[4-[(2-Pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine；2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine
• CAS: 1026696-54-7
• 化学式: C₂₄H₂₀N₆
• 分子量: 392.463
• InChiKey: UIUMXMYLPHSOHT-UHFFFAOYSA-N

物化性质

• 沸点：
  703.1±70.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-双((2-(吡啶-2-基)-1H-咪唑-1-基)甲基)苯 、 4,4'-methylenebis(oxy)dibenzoic acid 、 cadmium(II) acetate dihydrate 在 NaOH 作用下， 以 水 为溶剂， 以69.7%的产率得到[Cd(1,4-bis((2-(pyridin-2-yl)-1H-imidazol-1-yl)methyl)benzene)0.5(4,4'-methylenebis(oxy)dibenzoate)(H2O)]
  参考文献：
  名称：

  Self-Assembly of 2D→2D Interpenetrating Coordination Polymers Showing Polyrotaxane- and Polycatenane-like Motifs: Influence of Various Ligands on Topological Structural Diversity

  摘要：

  A series of mixed-ligand coordination complexes, namely, [Cd-2(bimb)2(L-1)(2)] (1), [Cd(bpimb)(0.5)(L-2)(H2O)] (2), [Zn-5(bpib)(2)(L-3)(4)(OH)(2)(H2O)(2)] (3), [Zn(bpib)(0.5)(L-4)] (4), and [Cd(bib)(L-4)] (5), where bimb = 1,4-bis((1H-imidazol-1-yl) methyl) benzene, bpimb = 1,4-bis((2-(pyridin-2-yl)-1H-imidazol-1-yl)methyl) benzene, bpib = 1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane, bib = 1,4-bis(1H-imidazol-1-yl)butane, H2L1 = 4-((4-(dihydroxymethyl)phenoxy)methyl)benzoic acid, H2L2 = 4,4'-methylenebis(oxy)dibenzoic acid, H2L3 = 3,3'-methylenebis(oxy)dibenzoic acid, and H2L1 = 4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))dibenzoic acid, have been synthesized under hydrothermal conditions. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, and thermogravimetric (TG) analyses. In 1, (L-1)(2-) anions link the metal-neutral ligand subunits to generate a 2-fold parallel interpenetrating net with the 63 topology. In 2-4, neutral ligands connect the various metal-carboxylic ligand subunits to give a 2-fold parallel interpenetrating net with (4,4) topology in 2, a 2-fold parallel interpenetrating net with (3,6)-connected topology in 3, and a 3-fold parallel interpenetrating net with (4,4) topology in 4. Compounds 1-4 display both polyrotaxane and polycatenane characters. Compound 5 is a 5-fold parallel interpenetrating net with (4,4) topology. By careful inspection of these structures, we find that different topological structures showing both polyrotaxane and polycatenane characters have been achieved with increase of the carboxylic ligand length. It is believed that various carboxylic ligands and N-donor ligands with different coordination modes and conformations are important for the formation of the different structures. In addition, the luminescent properties of these compounds are discussed.

  DOI：

  10.1021/ic801275w

文献信息

• d10-Metal coordination polymers based on analogue di(pyridyl)imidazole derivatives and 4,4′-oxydibenzoic acid: influence of flexible and angular characters of neutral ligands on structural diversity
  作者：Ya-Qian Lan、Shun-Li Li、Yao-Mei Fu、Yan-Hong Xu、Lu Li、Zhong-Min Su、Qiang Fu

  DOI：10.1039/b809336a

  日期：——

  L3 ligand to form a layer-like structure which is assembled by π⋯π stacking interactions to show a 3D supramolecular structure. In 7, oba2− anions coordinate to CdII cations to form chains which are connected by L4 to form a four-fold interpenetrating diamond network. In 8, the weak hydrogen bonding and π⋯π stacking interactions connect the [Cd(L5)(oba)] chains to give a 2D supramolecular sheet. By careful

  一系列混合配体配位化合物，即[Zn（L 1）（oba）]（1），[Cd（L 1）（oba）]（2），[Zn 2（L 2）（oba）2 ]·8H 2 O（3），[Cd 2（L 2）（oba）2 ]·2H 2 O（4），[Zn 3（L 3）（oba）3 ]（5），[Cd 2（L 3）（oba）2 ] ·（L 3）（6），[Cd（L 4）（oba）]·H 2 O（7）和[Cd（L 5）（oba）]·3H 2 O（8），其中L 1 =2-（2-吡啶基）咪唑，L 2＝ 1，4-双[2-（2-吡啶基）咪唑-1-基]丁烷，L 3＝ 1，4-双[2-（2-吡啶基）咪唑-1-基甲基]苯，L 4 = 1,3-双[2-（2-吡啶基）咪唑-1-基甲基]苯，L 5 = 1,2-双[2-（2-吡啶基）咪唑-1-基甲基]苯和H 2 oba =4,4'-氧二苯甲酸，已在水热条件下合成。它们的结构已由单晶X射线衍射 分析并通过元素分析进一步表征，
• Supramolecular interactions mediated conformational modulation of flexible linker leading to the isolation of a metallo-macrocycle in a polyoxometalate matrix: Hirshfeld surfaces and 2D fingerprint plots
  作者：Bharat Kumar Tripuramallu、Paulami Manna、Samar K. Das

  DOI：10.1039/c4ce01714e

  日期：——

  A novel polyoxometalate-based ion-pair compound, [Cu(1,4-bpimb)(H2O)]2[Mo8O26]·4H2O (1), has been synthesized starting from the copper nitrate, flexible linker 1,4-bis[2-(2-pyridyl)imidazol-1-ylmethyl]benzene (1,4-bpimb) and sodium molybdate under hydrothermal conditions. The title compound was unambiguously characterized by single-crystal X-ray diffraction analysis, elemental analysis, IR spectroscopy, and thermogravimetric analysis, and bulk homogeneity has been proved by powder X-ray diffraction studies. The supramolecular interactions governed by the octamolybdate anion mediate the conformational modulation of the 1,4-bpimb linker to its thermodynamically unfavorable cis conformation, which coordinates to the copper ion, leading to the formation of a metallo-macrocycle. The existence of the cationic metallo-macrocycle [Cu(1,4-bpimb)(H2O)]24+ in the polyoxometalate matrix as ion-pair compound 1 represents a rare example. Hirshfeld surface analyses have been studied to gain deep insight into the interactions around the metallo-macrocyclic cation. Theoretical calculations have been performed partly to establish the experimental results.

  在水热条件下，以硝酸铜、柔性连接剂 1,4-双[2-(2-吡啶基)咪唑-1-基甲基]苯（1,4-bpimb）和钼酸钠为起点，合成了一种新型多氧化金属基离子对化合物 [Cu(1,4-bpimb)(H2O)]2[Mo8O26]-4H2O（1）。通过单晶 X 射线衍射分析、元素分析、红外光谱和热重分析，标题化合物得到了明确的表征。八钼酸盐阴离子所支配的超分子相互作用介导了 1,4-bpimb 连接体的构象调节，使其变为热力学上不利的顺式构象，从而与铜离子配位，形成金属大循环。阳离子金属大循环 [Cu(1,4-bpimb)(H2O)]24+作为离子对化合物 1 存在于聚氧化金属基体中，这是一个罕见的例子。为了深入了解金属大环阳离子周围的相互作用，我们研究了 Hirshfeld 表面分析。为了确定实验结果，还进行了部分理论计算。
• Self-Assembly of 2D→2D Interpenetrating Coordination Polymers Showing Polyrotaxane- and Polycatenane-like Motifs: Influence of Various Ligands on Topological Structural Diversity
  作者：Ya-Qian Lan、Shun-Li Li、Jun-Sheng Qin、Dong-Ying Du、Xin-Long Wang、Zhong-Min Su、Qiang Fu

  DOI：10.1021/ic801275w

  日期：2008.11.17

  A series of mixed-ligand coordination complexes, namely, [Cd-2(bimb)2(L-1)(2)] (1), [Cd(bpimb)(0.5)(L-2)(H2O)] (2), [Zn-5(bpib)(2)(L-3)(4)(OH)(2)(H2O)(2)] (3), [Zn(bpib)(0.5)(L-4)] (4), and [Cd(bib)(L-4)] (5), where bimb = 1,4-bis((1H-imidazol-1-yl) methyl) benzene, bpimb = 1,4-bis((2-(pyridin-2-yl)-1H-imidazol-1-yl)methyl) benzene, bpib = 1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane, bib = 1,4-bis(1H-imidazol-1-yl)butane, H2L1 = 4-((4-(dihydroxymethyl)phenoxy)methyl)benzoic acid, H2L2 = 4,4'-methylenebis(oxy)dibenzoic acid, H2L3 = 3,3'-methylenebis(oxy)dibenzoic acid, and H2L1 = 4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))dibenzoic acid, have been synthesized under hydrothermal conditions. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, and thermogravimetric (TG) analyses. In 1, (L-1)(2-) anions link the metal-neutral ligand subunits to generate a 2-fold parallel interpenetrating net with the 63 topology. In 2-4, neutral ligands connect the various metal-carboxylic ligand subunits to give a 2-fold parallel interpenetrating net with (4,4) topology in 2, a 2-fold parallel interpenetrating net with (3,6)-connected topology in 3, and a 3-fold parallel interpenetrating net with (4,4) topology in 4. Compounds 1-4 display both polyrotaxane and polycatenane characters. Compound 5 is a 5-fold parallel interpenetrating net with (4,4) topology. By careful inspection of these structures, we find that different topological structures showing both polyrotaxane and polycatenane characters have been achieved with increase of the carboxylic ligand length. It is believed that various carboxylic ligands and N-donor ligands with different coordination modes and conformations are important for the formation of the different structures. In addition, the luminescent properties of these compounds are discussed.