4,4'-bis(pyrazole-1-ylmethyl)biphenyl | 1235371-05-7

• 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: 4,4'-bis(pyrazole-1-ylmethyl)biphenyl
• 英文别名: 4,4'-Bis(pyrazole-1-ylmethyl)-biphenyl；1-[[4-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]pyrazole
• CAS: 1235371-05-7
• 化学式: C₂₀H₁₈N₄
• 分子量: 314.39
• InChiKey: VQESFDOWAHMOQO-UHFFFAOYSA-N

物化性质

• 沸点：
  540.2±50.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-bis(pyrazole-1-ylmethyl)biphenyl 、 silver nitrate 以 乙腈 为溶剂， 反应 1.0h， 以47%的产率得到[Ag₃(4,4'-bis(pyrazole-1-ylmethyl)biphenyl)₂(NO₃)₃]
  参考文献：
  名称：

  由长度调节的吡唑基配体构建的三种 Ag(I) 配合物的合成、结构和表征

  摘要：

  具有 N 供体配体的三种配位配合物 Ag2(L1)1.5(NO3)2 (1)、Ag3(L2)2(NO3)3 (2) 和 Ag(L1)2NO3 (3) {L1 = 1,4 -双（吡唑-1-基甲基）苯，L2 = 4,4'-双（吡唑-1-基甲基）联苯}，已通过元素分析、红外光谱、TGA 和 X 射线单晶进行合成和结构表征衍射。复合体 1 显示了一个 3-D fsh-3,4-P21/c 结构，其简码为 {83}2{85·10}。复合体 2 有一个 3-D 框架，其中一个 2-D 层被一个无限的 1-D 之字形链穿透。配合物 3 表现出 (4,4)-净外消旋层结构，其中硝酸根阴离子填充空腔。结果表明，L1和L2在复合物的形成中可以采用不同的构象，配体的长度在配置和指导复合物相应结构中起着关键作用。

  DOI：

  10.1080/00958972.2013.840774
• 作为产物：
  描述：

  吡唑 、 4,4'-二氯联苯 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以82%的产率得到4,4'-bis(pyrazole-1-ylmethyl)biphenyl
  参考文献：
  名称：

  由长度调节的吡唑基配体构建的三种 Ag(I) 配合物的合成、结构和表征

  摘要：

  具有 N 供体配体的三种配位配合物 Ag2(L1)1.5(NO3)2 (1)、Ag3(L2)2(NO3)3 (2) 和 Ag(L1)2NO3 (3) {L1 = 1,4 -双（吡唑-1-基甲基）苯，L2 = 4,4'-双（吡唑-1-基甲基）联苯}，已通过元素分析、红外光谱、TGA 和 X 射线单晶进行合成和结构表征衍射。复合体 1 显示了一个 3-D fsh-3,4-P21/c 结构，其简码为 {83}2{85·10}。复合体 2 有一个 3-D 框架，其中一个 2-D 层被一个无限的 1-D 之字形链穿透。配合物 3 表现出 (4,4)-净外消旋层结构，其中硝酸根阴离子填充空腔。结果表明，L1和L2在复合物的形成中可以采用不同的构象，配体的长度在配置和指导复合物相应结构中起着关键作用。

  DOI：

  10.1080/00958972.2013.840774

文献信息

• Synthesis, crystal structures and photocatalytic properties of four silver(I) coordination polymers based on semirigid bis(pyrazole) and carboxylic acid co-ligands
  作者：Dian-Heng Huan、Yan-Qin Zhao、Gui-Ying Dong、Fu-Jun Yin、Sheng-Chun Wang

  DOI：10.1007/s11243-016-0071-2

  日期：2016.9

  Abstract Four Ag(I) coordination polymers, formulated as [Ag(L1)(tpa)0.5]n (1), [Ag(L2)(ndc)0.5]·0.5H2ndc}n (2), [Ag(L3)0.5(ndc)0.5]n (3) and [Ag(L3)]·H3bptc}n (4) (L1 = 4,4′-bis(pyrazole-1-ylmethyl)-biphenyl, L2 = 4,4′-bis(3,5-dimethylpyrazol-1-ylmethyl)-biphenyl, L3 = 1,4-bis(3,5-dimethylpyrazol-1-ylmethyl)benzene, H2tpa = terephthalic acid, H2ndc = 2,6-naphthalenedicarboxylic acid, H4bptc = 3

  摘要 四种 Ag(I) 配位聚合物，公式为 [Ag(L1)(tpa)0.5]n (1), [Ag(L2)(ndc)0.5]·0.5H2ndc}n (2), [Ag(L3) )0.5(ndc)0.5]n (3) 和 [Ag(L3)]·H3bptc}n (4) (L1 = 4,4'-双(吡唑-1-基甲基)-联苯，L2 = 4,4 '-双(3,5-二甲基吡唑-1-基甲基)-联苯，L3 = 1,4-双(3,5-二甲基吡唑-1-基甲基)苯，H2tpa = 对苯二甲酸，H2ndc = 2,6-萘二甲酸, H4bptc = 3,3',4,4'-联苯四甲酸），已被水热合成和结构表征。复合体 1 具有罕见的双节点 (4,4) 连接 2D 4,4L10 拓扑网络，点符号为 32·4.62·7}232·62·72}。配合物2具有折叠梯状链结构，通过O-H···O氢键和π···π堆积相互作用进一步扩展为3D超分子网络。配合物
• POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US20200207787A1

  公开（公告）日：2020-07-02

  A polycyclic aromatic compound in which a plurality of aromatic rings are connected by a boron atom and an oxygen atom, a sulfur atom or a selenium atom and substituted by a specific aryl such as anthracene, is useful as a material for an organic device. By the polycyclic aromatic compound, an organic EL device having at least one of efficiency and device life can be provided.

  一种多环芳香化合物，其中多个芳香环通过硼原子和氧原子、硫原子或硒原子连接，并以特定的芳基（如蒽）取代，可用作有机器件的材料。通过这种多环芳香化合物，可以提供至少在效率和器件寿命方面具有优势的有机EL器件。
• Structural modulation and properties of silver(I) coordination polymers from 2,6-naphthalenedicarboxylic acid and flexible N-donor linkers
  作者：Xiao Xiao Wang、Cui Miao Huang、Gui Ying Dong、Guang Hua Cui

  DOI：10.1007/s11243-015-9968-4

  日期：2015.10

  Based on the N-donor auxiliary ligand effect, four new silver(I) coordination polymers derived from 2,6-naphthalenedicarboxylic acid (H2ndc), namely [Ag(L1)(ndc)0.5]n (1), [Ag(L2)(ndc)0.5]n (2), [Ag(L3)(ndc)0.5]·0.5(H2ndc)}n (3), and [Ag(L4)(H2O)·Hndc]n (4) (L1 = 1,3-bis(thiabendazole)butane, L2 = 4,4′-bis(pyrazole-1-ylmethyl)-biphenyl, L3 = 1,4-bis(benzimidazole)butane, L4 = 4,4′-dipyridylamine)

  基于N-供体辅助配体效应，衍生自2,6-萘二甲酸(H2ndc)的四种新型银(I)配位聚合物，即[Ag(L1)(ndc)0.5]n(1)、[Ag(L2) )(ndc)0.5]n (2)、[Ag(L3)(ndc)0.5]·0.5(H2ndc)}n (3) 和 [Ag(L4)(H2O)·Hndc]n (4) ( L1 = 1,3-双（噻苯达唑）丁烷，L2 = 4,4'-双（吡唑-1-基甲基）-联苯，L3 = 1,4-双（苯并咪唑）丁烷，L4 =​​ 4,4'-二吡啶胺)，已通过溶剂热反应合成。复合物 1 具有一维无限循环和链，通过 π-π 堆积相互作用进一步扩展为 3D 超分子框架。复合体 2 呈现了前所未有的 3D (3,4) 连接 lim (baa-e-3,4-Imma) 拓扑，其 Schläfli 符号为 (4.102)2(42.104)。复合体 3 展示了一个二维三连接 hcb（Shubnikov
• Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus
  申请人：Kwansei Gakuin Educational Foundation

  公开号：US11248009B2

  公开（公告）日：2022-02-15

  A polycyclic aromatic compound in which a plurality of aromatic rings are connected by a boron atom and an oxygen atom, a sulfur atom or a selenium atom and substituted by a specific aryl such as anthracene, is useful as a material for an organic device. By the polycyclic aromatic compound, an organic EL device having at least one of efficiency and device life can be provided.

  一种多环芳香族化合物，其中多个芳香环通过硼原子和氧原子、硫原子或硒原子连接，并被特定芳基（如蒽）取代，可用作有机器件的材料。通过这种多环芳香族化合物，可以提供一种有机 EL 器件，该器件具有效率和器件寿命中的至少一个优点。
• Reaction Controlled Assemblies of Polyoxotungstates (-molybdates) and Coordination Polymers
  作者：Guangfeng Hou、Lihua Bi、Bao Li、Lixin Wu

  DOI：10.1021/ic1001495

  日期：2010.7.19

  To investigate the influence of reaction conditions on the compound structures, five polyoxometalate (POM)-supported inorganic-organic hybrid compounds, [Cu-3(I)(L-1)(4)][PW12O40] (1), [Cu-3(I)(L-1)(4)][PMo12O40] (2), [Cu-3(I)(L-1)(4)][PW12O40] (3), [Cu-3(I)(L-1)(3)][PW12O40] (4), and [Cu-3(I)(L-2)(3)][PMo12O40] (5) [L-1 = 1,4-bis(pyrazol-1-ylmethyl)benzene, L-2 = 4,4'-bis(pyrazol-1-ylmethyl)biphenyl], were hydrothermally synthesized by tuning the reactant species and molar ratio and reaction temperature and were characterized by elemental analysis, IR spectroscopy, PXRD, XPS, electrochemistry, SPS, and X-ray crystallography. Compounds 1 and 2 were synthesized in the isostructural state at 150 degrees C, in which L-1 ligands link Cu-1 ions, generating a cationic 2D 6(3) (hcb) skeleton [Cu-3(L-1)(4)](3+)}n-like sheet that further connects with POM anions, forming a neutral 2D (3,4)-connected network with a Schlafli symbol of (5(3))(2)(5(4);8(2)). In contrast, compound 3 was synthesized at a relatively lower reaction temperature (130 degrees C) than that for the synthesis of 1 and 2, which exhibits a similar 2D sheet-like cationic skeleton with 1 and 2. Interestingly, the POM anions do not coordinate with the cationic moieties in 3. Compounds 4 and 5 were synthesized with a relatively lower reactant molar ratio in comparison with that for the synthesis of 1-3, in which the cationic coordination moieties all present 1D chain-like structures. Compound 4 exhibits a 3D (3,4)-connected sqc74 framework with a Schlafli symbol of (6;8(2))(6(4);8:10) formed by the POM anions linking [Cu-3(L-1)(3)](3+)}(n) cationic chains. In comparison to 4, compound 5 shows a 3D supramolecular framework, which is formed by POM anions and [Cu-3(L-2)(3)](3+)}(n) cationic chains via hydrogen bonds. The structural difference of compounds 1-5 indicates that the reaction conditions perform a crucial influence on the structures of this series. The electrochemical properties of 2 and 5 and the S PS responses of 3-5 suggest that these compounds can be used as potential electrocatalytic or photocatalytic framework materials. In addition, EFISPS curves indicate that 3-5 possess the n-type semiconductor characteristic.