N-ethyl-4,4'-bipyridine | 153953-52-7

• 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
• 英文名称: N-ethyl-4,4'-bipyridine
• 英文别名: 1-Ethyl-4-(4-pyridyl)pyridin-1-ium；1-ethyl-4-pyridin-4-ylpyridin-1-ium
• CAS: 153953-52-7
• 化学式: C₁₂H₁₃N₂
• 分子量: 185.249
• InChiKey: UUEAPRWEWBZAJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  16.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-ethyl-4,4'-bipyridine 在 alkali metal 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Clack, Dennis W.; Evans, Jeffrey C.; Morris, Caroline R., Journal of the Chemical Society. Perkin transactions II, 1988, p. 1541 - 1546

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-联吡啶 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲苯 为溶剂， 生成 N-ethyl-4,4'-bipyridine
  参考文献：
  名称：

  异超分子化学：纳米晶体和分子共价和非共价组装和组织的合成策略

  摘要：

  描述了纳米晶体的制备和可以在溶液中共价或非共价组装的分子的合成，以产生具有明确定义的杂超分子功能的杂超分子。还描述了制备和合成方法，其产生具有可寻址的异超分子功能的杂化超分子的有组织的组装。最后，概述了这些合成策略的发展，以允许共价和非共价组装和组织多种缩合相和分子组分。

  DOI：

  10.1002/hlca.19980810511

文献信息

• ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME
  申请人：DAS Rupasree Ragini

  公开号：US20120013966A1

  公开（公告）日：2012-01-19

  An electrochromic compound represented by the following Chemical Formula 1: Also disclosed is an electrochromic device including the electrochromic compound.

  还公开了一种包括电致变色化合物的电致变色装置。
• ELECTROCHROMIC COMPOUND, ELECTRODE, AND DISPLAY ELEMENT
  申请人：ONO Kaori

  公开号：US20090256121A1

  公开（公告）日：2009-10-15

  An electrochromic compound represented by Formula (1), wherein R 1 is an alkyl group, an alkenyl group, an aryl group, or a heterocyclic group; R 2 and R 3 are each a hydrogen atom or a substituent; X is N—R 4 , an oxygen atom, or a sulfur atom; and R 4 is a hydrogen atom or a substituent; provided that at least one of R 1 -R 4 has a partial structure represented by Formula (2), —Si(Y) n R′ (3-n) Formula (2) wherein Y is a halogen atom or OR, R is an alkyl group, or an aryl group; R′ is an alkyl group, an alkenyl group, an aryl group, or a heterocyclic group, and n is an integer of 1-3.

  化学式（1）所代表的电致变色化合物，其中R1是烷基、烯基、芳基或杂环基；R2和R3分别是氢原子或取代基；X是N—R4、氧原子或硫原子；R4是氢原子或取代基；但至少R1-R4中的一个具有由化学式（2）表示的部分结构，—Si(Y)nR′(3-n)。在这里，Y是卤素原子或OR，R是烷基或芳基；R′是烷基、烯基、芳基或杂环基，n是1-3的整数。
• REDOX ACTIVE POLYMERS AND COLLOIDAL PARTICLES FOR FLOW BATTERIES
  申请人：The Board of Trustees of the University of Illinois

  公开号：US20160208030A1

  公开（公告）日：2016-07-21

  The invention provides a redox flow battery comprising a microporous or nanoporous size-exclusion membrane, wherein one cell of the battery contains a redox-active polymer dissolved in the non-aqueous solvent or a redox-active colloidal particle dispersed in the non-aqueous solvent. The redox flow battery provides enhanced ionic conductivity across the electrolyte separator and reduced redox-active species crossover, thereby improving the performance and enabling widespread utilization. Redox active poly(vinylbenzyl ethylviologen) (RAPs) and redox active colloidal particles (RACs) were prepared and were found to be highly effective redox species. Controlled potential bulk electrolysis indicates that 94-99% of the nominal charge on different RAPs is accessible and the electrolysis products are stable upon cycling. The high concentration attainable (>2.0 M) for RAPs in common non-aqueous battery solvents, their electrochemical and chemical reversibility, and their hindered transport across porous separators make them attractive materials for non-aqueous redox flow batteries based on size-selectivity.

  该发明提供了一种氧化还原流动电池，其中电池的一个电池单元包含溶解在非水溶剂中的氧化还原活性聚合物或分散在非水溶剂中的氧化还原胶体颗粒的微孔或纳米孔隔离膜。氧化还原流动电池提供了增强的离子导电性，穿越电解质分隔膜的氧化还原活性物种减少，从而提高了性能并实现了广泛的利用。氧化还原活性聚合物（RAPs）和氧化还原活性胶体颗粒（RACs）已经制备，并且被发现是高效的氧化还原物种。控制电位的大量电解表明，不同RAPs上94-99%的名义电荷是可访问的，并且电解产物在循环过程中是稳定的。在常见的非水溶剂中RAPs可达到的高浓度（>2.0 M），它们的电化学和化学可逆性，以及它们在多孔隔离膜中的受阻输运使它们成为基于尺寸选择性的非水溶性氧化还原流动电池的有吸引力的材料。
• Modes of Binding Interaction between Viologen Guests and the Cucurbit[7]uril Host
  作者：Kwangyul Moon、Angel E. Kaifer

  DOI：10.1021/ol035967x

  日期：2004.1.1

  [structure: see text] Host-guest interactions between cucurbit[7]uril (CB7) and a series of dialkyl-4,4'-bipyridinium (viologen) dicationic guests were investigated by NMR spectroscopy. CB7 includes the aromatic nucleus of short chain viologens, but the mode of interaction is different with longer chain viologens due to the favorable hydrophobic interactions between the terminal alkyl substituents

  [结构：见正文]通过NMR光谱研究了葫芦丝[7]尿素（CB7）与一系列二烷基-4,4'-联吡啶鎓（紫精）客体之间的来宾与客体之间的相互作用。CB7包括短链紫罗兰素的芳香核，但由于末端烷基取代基与主体内部腔体之间存在良好的疏水性相互作用，因此相互作用方式与长链紫罗兰素不同。在紫精-CB7结合相互作用的基础上，设计并合成了一种新的拟轮烷。
• Hydrogen Bonding in the Water Stabilized Structure of the Modified Unsymmetrically Substituted Viologen Chromophore, N-ethyl-N′-(2-phosphonoethyl)-4,4′-bipyridylium Dichloride
  作者：Graham Smith、Geoffrey D. Will、Gregory J. Wilson

  DOI：10.1007/s10870-009-9642-9

  日期：2010.3

  The crystal structure of the modified unsymmetrically N,N′-substituted viologen chromophore, N-ethyl-N′-(2-phosphonoethyl)-4,4′-bipyridinium dichloride 0.75 hydrate (1) has been determined. Crystals are triclinic, space group P−1 with Z = 2 in a cell with a = 7.2550(1), b = 13.2038(5), c = 18.5752(7) Å, α = 86.495(3), β = 83.527(2), γ = 88.921(2)°. The two independent but pseudo-symmetrically related cations in the asymmetric unit form one-dimensional hydrogen-bonded chains through short homomeric phosphonic acid O–H···O links [2.455(4), 2.464(4) Å] while two of the chloride anions are similarly strongly linked to phosphonic acid groups [O–H···Cl, 2.889(4), 2.896(4) Å]. The other two chloride anions together with the two water molecules of solvation (one with partial occupancy) form unusual cyclic hydrogen-bonded bis(Cl···water) dianion units which lie between the layers of bipyridylium rings of the cation chain structures with which they are weakly associated. The crystal structure determination of unsymmetrically substituted viologen N-ethyl-N′-(2-phosphonoethyl)-4,4′-bipyridylium dichloride 0.75 hydrate shows the presence of strong intermolecular phosphonate O–H···O and O–H···Cl interactions together with unusual cyclic hydrogen-bonded bis(chloride···water) dianion units giving one-dimensional chain structures.

  修饰的不对称 N,N'-取代紫罗碱发色团 N-乙基-N'-(2-膦酰基乙基)-4,4'-联吡啶二氯化物 0.75 水合物 (1) 的晶体结构已确定。晶体为三斜晶系，空间群 P−1，Z = 2，晶胞内 a = 7.2550(1)，b = 13.2038(5)，c = 18.5752(7) Å，α = 86.495(3)，β = 83.527( 2), γ = 88.921(2)°。不对称单元中的两个独立但伪对称相关的阳离子通过短的均聚膦酸O–H·O键形成一维氢键链[2.455(4), 2.464(4) Å]，而其中两个氯阴离子同样与膦酸基团紧密相连 [O–H···Cl, 2.889(4), 2.896(4) Å]。另外两个氯阴离子与两个溶剂化的水分子（一个具有部分占据）形成不寻常的环状氢键双（Cl·水）二价阴离子单元，该单元位于阳离子链结构的联吡啶鎓环层之间，它们是弱关联的。不对称取代的紫精N-乙基-N′-(2-膦酰基乙基)-4,4′-二氯化联吡啶鎓0.75水合物的晶体结构测定表明存在强分子间膦酸酯O–H·O和O–H·· ·Cl与不寻常的环状氢键双（氯·水）二价阴离子单元相互作用，形成一维链结构。