1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane | 938463-77-5

• 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
• 英文名称: 1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane
• 英文别名: 1,4-bis[2-(2-pyridyl)imidazol-1-yl]butane；1,4-Bis[2-(2-pyridyl)-1H-imidazol-1-yl]butane；2-[1-[4-(2-pyridin-2-ylimidazol-1-yl)butyl]imidazol-2-yl]pyridine
• CAS: 938463-77-5
• 化学式: C₂₀H₂₀N₆
• 分子量: 344.419
• InChiKey: STDBQIDEIRPIKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 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-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane 、 4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))dibenzoic acid 、 zinc(II) acetate dihydrate 在 NaOH 作用下， 以 水 为溶剂， 以77.6%的产率得到[Zn(1,4-bis(2-(pyridin-2-yl)-1H-imidazol-1-yl)butane)0.5(4,4'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))dibenzoate)]
  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，
• Interpenetrating metal-organic frameworks formed by self-assembly of tetrahedral and octahedral building blocks
  作者：Yong-Ming Lu、Ya-Qian Lan、Yan-Hong Xu、Zhong-Min Su、Shun-Li Li、Hong-Ying Zang、Guang-Juan Xu

  DOI：10.1016/j.jssc.2009.08.018

  日期：2009.11

  elemental analyses, IR spectra, and thermogravimetric (TG) analyses. Compounds 1–3 display α-Po topological nets with different degrees of interpenetration based on the similar octahedral [Cd2(–COO)4] building blocks. Compound 4 is a six-fold interpenetrating diamondoid net based on tetrahedral MBBs. By careful inspection of these structures, we find that various carboxylic ligands and N-donor ligands with

  为了研究拓扑类型与分子构造块（MBB）之间的关系，我们设计并合成了一系列在水热条件下基于不同多边形或多面体的三维（3D）互穿金属有机骨架，即[Cd（bpib）0.5（L 1）]（1），[Cd（bpib）0.5（L 2）]·H 2 O（2），[Cd（bpib）0.5（L 3）]（3）和[Cd（bib）0.5（L 1）]（4），其中bpib = 1,4-双（2-（吡啶-2-基）-1 H-咪唑-1-基）丁烷，bib = 1,4-双（1 H-咪唑-1-基）丁烷，H 2 L 1 = 4-（4-羧基苄氧基）苯甲酸，H 2 L 2 = 4,4'-（乙烷-1,2-二基双（氧基））二苯甲酸和H 2 L 3分别为4,4'-（1,4-亚苯基双（亚甲基））双（氧基）二苯甲酸。它们的结构已通过单晶X射线衍射分析确定，并进一步通过元素分析，IR光谱和热重（TG）分析进行了表征。化合物1 - 3显示α-宝拓扑网以基于所
• 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.