4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid | 1221149-43-4

• 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: 4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid
• 英文别名: 4-[(2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl]benzoic acid；4-[(2-Pyridin-2-ylimidazol-1-yl)methyl]benzoic acid；4-[(2-pyridin-2-ylimidazol-1-yl)methyl]benzoic acid
• CAS: 1221149-43-4
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: RDIQAIVVYHLFRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid 、 zinc(II) acetate dihydrate 在 NaOH 作用下， 以 水 为溶剂， 以54%的产率得到zinc(II) 4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoate
  参考文献：
  名称：

  Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties

  摘要：

  Five novel Zn-II-(pyridyl)imidazole derivative coordination polymers, [Zn(L)(2)] (1), [Zn-2(mu(3)-OH)L(m-BDC)] (2), [Zn-2(mu(3)-OH)L(p-BDC)]center dot H2O (3), [Zn2L(BTC)(H2O)]center dot 2.5H(2)O (4) and [Zn-3.5(mu(3)-OH)L-2(BTEC)(H2O)]. H2O (5) (L=4-((2-(pyridine-2-y1)-1H-imidazol-1-yl)methyl)benzoic acid, p-H2BDC=1,4-benzenedicarboxylic acid, m-H2BDC=1,3-benzenedicarboxylic acid, H3BTC=1,3,5-benzenetricarboxylic acid, H4BTEC=1,2,4,5-benzenetetracarboxylic acid), were successfully synthesized under hydrothermal conditions through varying auxiliary aromatic-acid ligands and structurally characterized by X-ray crystallography. Compound 1 exhibits a 1D chain linked via double L bridges. Compound 2 features a well-known pcu topology with bent dicarboxylate ligand (m-H2BDC) as an auxiliary ligand, while 3 displays a bat network with linear dicarboxylate ligand (p-H2BDC) as an auxiliary ligand. The structure of compound 4 is a novel 3D (3,5)-connected network with (4.6(2))(4.6(4).8(2).10.12(2)) topology. It is interesting that compound 5 shows an intricate (3,4,8)-connected framework with (4.6(2)) (4(2).6(3).8)(4(2).6(4))(4(2).6(18).7.8(6).10) topology. In addition, their infrared spectra (IR), X-ray powder diffraction (XPRD) and photoluminescent properties were also investigated in detail. (C) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.01.027
• 作为产物：
  描述：

  2-(咪唑-2-基)吡啶 、 对氰基氯苄 在 sodium hydroxide 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.5h， 以80%的产率得到4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid
  参考文献：
  名称：

  基于不同聚羧酸根阴离子和类似（吡啶基）咪唑衍生物的两种新型二维金属-有机骨架结构

  摘要：

  两个具有半刚性不对称配体 L 的新 CdII 配位框架 [Cd2L2(p-bdc)]n (1) 和 [CdL(btec)0.25]n (2) (L = 4-[(2-(pyridine-2- yl)-1H-咪唑-1-基)甲基]苯甲酸，p-bdc = 1,4-苯二甲酸，btec = 1,2,4,5-苯四甲酸)，水热合成。在复合体 1 中，p-bdc 配体连接 [Cd2(COO)4N4] 双链以形成二维网络。在配合物 2 中，两个 CdII 离子和两个配体 L 形成一个 26 元环，该环由 btec 配体以螯合-单齿配位模式进一步连接以构建二维聚合物片。此外，在室温和固态下研究了游离配体L和两种配合物的光致发光性质

  DOI：

  10.1002/zaac.200900329

文献信息

• Syntheses, structures, and photoluminescence of two Cd(II) coordination polymers constructed from analogue (pyridyl)imidazole derivative and polycarboxylate acid
  作者：Rui-Hai Cui、Yan-Hong Xu、Zhao-Hua Jiang

  DOI：10.1016/j.inoche.2009.07.013

  日期：2009.9

  Two novel Cd(II) coordination frameworks based on a semirigid asymmetric ligand L and aromatic multi-carboxylate ligands, [Cd2L(btc)(H2O)(2)]center dot 5H(2)O}(n) (1) and [Cd2L2(bdc)](n) (2) (L = (4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid, H(3)btc = 1,3,5-benzenetricarboxylic acid, H(2)bdc = 1,3-benzenedicarboxylic acid), have been hydrothermally synthesized, and structurally characterized by elemental analysis, IR spectroscopy, single-crystal X-ray crystallography. Due to various coordination modes and conformations of the semirigid asymmetric ligand, and carboxylate containing co-ligands, therefore, the two complexes exhibit structural and dimensional diversity. Complex 1 exhibits a novel 2D (3, 5)-connected network structure with (3.5(2))(3(2).5(3).6(4).7) topology. Complex 2 exhibits a novel 3D CdSO4 topology, which is formed from different dinuclear cadmium units. In addition, the photoluminescence properties of the free ligand L, and complexes 1 and 2 were studied in the solid state at room temperature. (C) 2009 Published by Elsevier B.V.
• Two New 2D Metal-Organic Framework Structures Based on Different Polycarboxylate Anions and Analogue (Pyridyl)imidazole Derivative
  作者：Rui-Hai Cui、Yan-Hong Xu、Zhao-Hua Jiang

  DOI：10.1002/zaac.200900329

  日期：2010.3

  Two new CdII coordination frameworks with the semirigid asymmetric ligand L, [Cd2L2(p-bdc)]n (1) and [CdL(btec)0.25]n (2) (L = 4-[(2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl]benzoic acid, p-bdc = 1,4-benzenedicarboxylic acid, btec = 1,2,4,5-benzenetetracarboxylic acid), were synthesized hydrothermally. In complex 1, p-bdc ligands link [Cd2(COO)4N4] double-chains to give a 2D network. In complex 2, two

  两个具有半刚性不对称配体 L 的新 CdII 配位框架 [Cd2L2(p-bdc)]n (1) 和 [CdL(btec)0.25]n (2) (L = 4-[(2-(pyridine-2- yl)-1H-咪唑-1-基)甲基]苯甲酸，p-bdc = 1,4-苯二甲酸，btec = 1,2,4,5-苯四甲酸)，水热合成。在复合体 1 中，p-bdc 配体连接 [Cd2(COO)4N4] 双链以形成二维网络。在配合物 2 中，两个 CdII 离子和两个配体 L 形成一个 26 元环，该环由 btec 配体以螯合-单齿配位模式进一步连接以构建二维聚合物片。此外，在室温和固态下研究了游离配体L和两种配合物的光致发光性质
• Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties
  作者：Yan-Hong Xu、Ya-Qian Lan、Kui-Zhan Shao、Zhong-Min Su、Yi Liao

  DOI：10.1016/j.jssc.2010.01.027

  日期：2010.4

  Five novel Zn-II-(pyridyl)imidazole derivative coordination polymers, [Zn(L)(2)] (1), [Zn-2(mu(3)-OH)L(m-BDC)] (2), [Zn-2(mu(3)-OH)L(p-BDC)]center dot H2O (3), [Zn2L(BTC)(H2O)]center dot 2.5H(2)O (4) and [Zn-3.5(mu(3)-OH)L-2(BTEC)(H2O)]. H2O (5) (L=4-((2-(pyridine-2-y1)-1H-imidazol-1-yl)methyl)benzoic acid, p-H2BDC=1,4-benzenedicarboxylic acid, m-H2BDC=1,3-benzenedicarboxylic acid, H3BTC=1,3,5-benzenetricarboxylic acid, H4BTEC=1,2,4,5-benzenetetracarboxylic acid), were successfully synthesized under hydrothermal conditions through varying auxiliary aromatic-acid ligands and structurally characterized by X-ray crystallography. Compound 1 exhibits a 1D chain linked via double L bridges. Compound 2 features a well-known pcu topology with bent dicarboxylate ligand (m-H2BDC) as an auxiliary ligand, while 3 displays a bat network with linear dicarboxylate ligand (p-H2BDC) as an auxiliary ligand. The structure of compound 4 is a novel 3D (3,5)-connected network with (4.6(2))(4.6(4).8(2).10.12(2)) topology. It is interesting that compound 5 shows an intricate (3,4,8)-connected framework with (4.6(2)) (4(2).6(3).8)(4(2).6(4))(4(2).6(18).7.8(6).10) topology. In addition, their infrared spectra (IR), X-ray powder diffraction (XPRD) and photoluminescent properties were also investigated in detail. (C) 2010 Elsevier Inc. All rights reserved.