N,N′-(1,1′-biphenyl)-4,4′-diylbis-4-pyridinecarboxamide

• 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: N,N′-(1,1′-biphenyl)-4,4′-diylbis-4-pyridinecarboxamide
• 英文别名: N,N'-(1,1'-biphenyl)-4,4'-diylbis-4-pyridinecarboxamide；N,N'-(biphenyl-4,4'-diyl)diisonicotinamide；N,N'-([1,1'-Biphenyl]-4,4'-diyl)diisonicotinamide；N-[4-[4-(pyridine-4-carbonylamino)phenyl]phenyl]pyridine-4-carboxamide
• 化学式: C₂₄H₁₈N₄O₂
• 分子量: 394.433
• InChiKey: XNJSGAADEFNRJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  间苯二甲酸 、 N,N′-(1,1′-biphenyl)-4,4′-diylbis-4-pyridinecarboxamide 反应 144.0h， 生成
  参考文献：
  名称：

  Linker dependent dimensionality in Zn(II)-coordination polymers containing a flexible bis-pyridyl-bis-amide ligand

  摘要：

  A bis-pyridyl-bis-amide ligand containing a biphenylene scaffold was combined with four different dicarboxylic acids in the presence of Zn(NO3)(2)center dot 6H(2)O under solvothermal conditions, using DMF as solvent. The corresponding coordination frameworks were structurally characterized by single crystal diffraction analysis, the topological and thermal analysis were also conducted. The removing of the included DMF was investigated through solvent assisted activation protocol, the final outcomes being determined by (HNMR)-H-1 analysis. The dimensionality of the solid networks depends on the type of dicarboxylic acid employed. The use of isophthalic acid and 5-amino-isophthalic acid led to the isolation of 2D-frameworks (PUM20 and PUM32, topological type 3,5L2), while a 1-D polymer was obtained using 2-methoxy-isophthalic acid (PUM30, of topological type SP 1-periodic, ladder-like). Finally, the use of terephthalic acid led to a pillared 2-fold interpenetrated 3D-structure (PUM198, of topological type let). (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2018.07.025
• 作为产物：
  描述：

  4,4'-二溴联苯 、 4-吡啶甲酰胺 在 Brettphos palladacycle 、 potassium carbonate 作用下， 以 叔丁醇 为溶剂， 反应 15.0h， 以79%的产率得到N,N′-(1,1′-biphenyl)-4,4′-diylbis-4-pyridinecarboxamide
  参考文献：
  名称：

  含有聚芳族支架的双异烟酰基接头：合成、结构和光谱特性

  摘要：

  在这项研究中，通过 Pd 催化的交叉偶联反应，包括异烟酰胺和适当的芳香族二溴化物。优化的方案导致以高产率和高纯度分离目标分子。这些特点是1H NMR、FTIR、MS 和元素分析及其固态结构通过单晶 X 射线衍射分析得到解决。在溶液 (DMF) 和固态中收集电子吸收和发射光谱。进行 TDDFT 计算以研究异烟酰基部分对中心发色团光谱特征的影响。尽管在溶液中只有含有芴酮支架的接头显示出微弱的荧光，但所有分离的接头在固态下都具有荧光，从而为它们用于制造荧光 MOF 铺平了道路。

  DOI：

  10.1039/d1cp04438a

文献信息

• Stepwise Evolution of Molecular Nanoaggregates Inside the Pores of a Highly Flexible Metal–Organic Framework
  作者：Davide Balestri、Paolo P. Mazzeo、Claudia Carraro、Nicola Demitri、Paolo Pelagatti、Alessia Bacchi

  DOI：10.1002/anie.201907621

  日期：2019.11.25

  supramolecular aggregates of eugenol guests with displacement of DMF inside the cavities of the flexible MOF, PUM168. The interpretation of the electron density provides a series of unique detailed snapshots depicting the supramolecular guest aggregation, thus showing the tight interplay between the host flexible skeleton and the molecular guests through the DMF-to-eugenol exchange process.

  结晶海绵法（CSM）主要用于通过单晶X射线衍射对封装在多孔MOF中的单个分析物进行结构测定。由于来宾系统经常显示出严重的混乱状态，因此需要可靠的晶体学测定方法。因此，来宾进入和形成纳米约束分子聚集体的动力学尚未引起关注。现在，对CSM的概念进行了研究，以监测丁香酚客体的纳米限制超分子聚集体的结构演变，并在柔性MOF腔体PUM168内置换DMF。电子密度的解释提供了一系列独特的详细快照，描绘了超分子客体聚集，
• Changing the Dress to a MOF through Fluorination and Transmetalation. Structural and Gas-Sorption Effects
  作者：Davide Balestri、Irene Bassanetti、Stefano Canossa、Cristina Gazzurelli、Alessia Bacchi、Silvia Bracco、Angiolina Comotti、Paolo Pelagatti

  DOI：10.1021/acs.cgd.8b01062

  日期：2018.11.7

  Two novel pillared Zn(II)-based Metal–Organic Frameworks were de novo synthesized exploiting N,N′-(1,1′-biphenyl)-4,4′-diylbis-4-pyridinecarboxamide (bpba) and its fluorinated analogous N,N′-(perfluoro-1,1′-biphenyl-4,4′-diyl)diisonicotinamide (F-bpba) as suitable pillar linkers and 2,6-naphthalene dicarboxylic acid as carboxylic ligand. The resulting heteroleptic MOFs, namely, PUM210, [Zn4(bpba)1.5·(ndc)4·(H2O)]n and PUM210F, [Zn3(F-bpba)1·(ndc)3·(DMF)]n, feature an uncommon truncation of the Zn(II) paddle-wheel nodes along the pillaring direction. PUM210 and PUM210F exhibit a polycatenated architecture, resulting in microporous channels decorated by amide moieties. The activated forms show a permanent porosity and a selective adsorption of CO2 over N2. Moreover, the partially transmetalated Cu-PUM210 and Cu-PUM210F were obtained by convenient transmetalation protocol and their adsorption propriety toward CO2 were subsequently investigated.

  利用 N,N'-(1,1'-联苯)-4,4'-二基双-4-吡啶甲酰胺 (bpba) 及其氟化类似物 N 从头合成了两种新型柱状 Zn(II) 基金属有机框架,N'-(全氟-1,1'-联苯-4,4'-二基)二异烟酰胺(F-bpba)作为合适的柱连接体，2,6-萘二甲酸作为羧基配体。所得杂配 MOF，即 PUM210，[Zn4(bpba)1.5·(ndc)4·(H2O)]n 和 PUM210F，[Zn3(F-bpba)1·(ndc)3·(DMF)]n，具有Zn(II) 桨轮节点沿支柱方向的罕见截断。 PUM210 和 PUM210F 表现出多链结构，形成由酰胺部分装饰的微孔通道。活化的形式表现出永久的孔隙率和对 CO2 相对于 N2 的选择性吸附。此外，通过方便的金属转移方案获得了部分金属转移的Cu-PUM210和Cu-PUM210F，并随后研究了它们对CO2的吸附性能。
• IMPROVEMENTS RELATING TO GAS SEPARATION
  申请人：University of Limerick

  公开号：EP3791949A1

  公开（公告）日：2021-03-17

  A method of purifying gaseous mixtures, for example ternary or quaternary gaseous mixtures, using a sorbent media comprising two or more sorbent materials. The method involves obtaining a target gas from a gaseous composition comprising the target gas, a first gas and a second gas, and optionally further gases by contacting the gaseous composition with the sorbent media to remove at least some of the first gas and at least some of the second gas from the gaseous composition. The sorbent media comprises at least a first sorbent material and a second sorbent material; wherein the first sorbent material has a higher adsorption selectivity for the first gas than for the target gas; and wherein the second sorbent material has a higher adsorption selectivity for the second gas than for target gas. The method may be particularly useful for the separation of pure ethylene, methane or propylene from such gaseous mixtures. A sorbent media and an apparatus for obtaining a target gas from such a gaseous composition are also disclosed.

  一种利用由两种或两种以上吸附材料组成的吸附介质净化气体混合物（例如三元或四元气体混合物）的方法。该方法包括从由目标气体、第一种气体和第二种气体组成的气态组合物中获取目标气体，并通过将气态组合物与吸附剂介质接触，从气态组合物中除去至少部分第一种气体和至少部分第二种气体。吸附剂介质至少包括第一种吸附剂材料和第二种吸附剂材料；其中第一种吸附剂材料对第一种气体的吸附选择性高于对目标气体的吸附选择性；第二种吸附剂材料对第二种气体的吸附选择性高于对目标气体的吸附选择性。该方法尤其适用于从此类气体混合物中分离纯乙烯、甲烷或丙烯。此外，还公开了一种吸附剂介质和一种从这种气体混合物中获得目标气体的装置。
• Porous chiral materials and uses thereof
  申请人：NANKAI UNIVERSITY

  公开号：US10857517B2

  公开（公告）日：2020-12-08

  A porous chiral material of formula [M(L)1.5(A)]+X− wherein M is a metal ion; L is a nitrogen-containing bidentate ligand; A is the anion of mandelic acid or a related acid; and X− is an anion.

  一种式为[M(L)1.5(A)]+X-的多孔手性材料，其中 M 是金属离子；L 是含氮双齿配体；A 是扁桃酸或相关酸的阴离子；X- 是阴离子。
• Extension of the Pd-catalyzed C N bond forming reaction to the synthesis of large polydentate ligands containing N H functions
  作者：Davide Balestri、Alessia Bacchi、Patrick Scilabra、Paolo Pelagatti

  DOI：10.1016/j.ica.2017.06.029

  日期：2018.1

  The use of Pd(0) mediated C-N coupling reaction for the synthesis of large polydentate ligands functionalized with NH groups is described. The protocol has been applied to the synthesis of polycarboxylic ligands and polypyridyl ligands, starting from common aryl halides containing a central phenyl or biphenyl core as electrophiles. Different aromatic amines or isonicotinamide have been used as nucleophiles. In all cases the ligands have been isolated in high yields and purity. The products have been characterized by means of FTIR, H-1 NMR, C-13H-1} NMR, EI-MS or CI-MS and elemental analysis. The X-ray structure of N, N'-(biphenyl-4,4'-diyl) diisonicotinamide has also been solved. (C) 2017 Elsevier B.V. All rights reserved.