1-((E)-2-(pyridin-4-yl)vinyl)-2-((E)-2-(pyridin-4-yl)vinyl)benzene | 852462-36-3

• 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: 1-((E)-2-(pyridin-4-yl)vinyl)-2-((E)-2-(pyridin-4-yl)vinyl)benzene
• 英文别名: 4-[(E)-2-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
• CAS: 852462-36-3
• 化学式: C₂₀H₁₆N₂
• 分子量: 284.36
• InChiKey: KVYDHQZYOBEELM-KQQUZDAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro(nitrosyl)[tris(3,5-dimethylpyrazolyl)-borato]molybdenum 、 1-((E)-2-(pyridin-4-yl)vinyl)-2-((E)-2-(pyridin-4-yl)vinyl)benzene 在 三乙胺 作用下， 以 甲苯 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Di-, Tri-, and Tetranucleating Pyridyl Ligands Which Facilitate Multicenter Magnetic Exchange between Paramagnetic Molybdenum Centers

  摘要：

  Two series of di-, tri- and tetranucleating bridging ligands have been prepared comprising 4-pyridyl binding sites radiating out from a central aromatic core, linked by ethenyl (series A) or ethynyl (series B) conjugated spacers. All of the ligands were prepared by a simple one-pot Heck coupling reaction between 4-vinylpyridine (series A) or 4-ethynylpyridine (series B) and the appropriate polybromobenzene. Complexes with these ligands were prepared by attachment of paramagnetic {Mo(NO)Tp*Cl} fragments to some or all of the pyridyl binding sites of the ligands. Electrochemical studies showed that (i) the redox splitting Delta E(1/2) between the 17-electron/18-electron couples of the Mo centers varies with the substitution pattern of the bridging ligand, such that ortho and para relationships between two {Mo(NO)Tp*Cl} fragments result in stronger interactions than a meta relationship and that (ii) ligand series A, with ethenyl spacers between the pyridyl termini and the central aromatic ring, gives slightly stronger electrochemical interactions than does ligand series B, which contains ethynyl spacers. EPR spectra showed that in all complexes of nuclearity two or more, magnetic exchange between the unpaired electrons is occurring; i.e., all unpaired electrons apparently couple to all molybdenum nuclei. The triangular trinuclear complexes and rectangular tetranuclear complexes represent the first examples of well-defined complexes where multicenter magnetic exchange is unequivocally apparent from the EPR spectra.

  DOI：

  10.1021/ic00123a017
• 作为产物：
  描述：

  3-(4-pyridinyl)-2-propenal 、 o-xylylene(bistriphenylphospine) dibromide 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 1-((E)-2-(pyridin-4-yl)vinyl)-2-((E)-2-(pyridin-4-yl)vinyl)benzene 、 1-((Z)-2-(pyridin-4-yl)vinyl)-2-((E)-2-(pyridin-4-yl)vinyl)benzene 、 1-((Z)-2-(pyridin-4-yl)vinyl)-2-((Z)-2-(pyridin-4-yl)vinyl)benzene
  参考文献：
  名称：

  新型二-(2/3)-吡啶-芪的合成、光谱表征和光物理研究；异构、氮位置影响和溶剂效应

  摘要：

  摘要 合成、纯化并完全光谱表征了具有吡啶环的二苯乙烯类似物，即二-(吡啶-2/3/4-基)乙烯基)苯。在进行分子内和分子间反应的条件下，这些二-(吡啶-3/4-基)乙烯基)苯在辐照时没有表现出除异构化之外的其他过程。化合物二-(吡啶-2-基)乙烯基)苯通过分子间环加成反应得到痕量的二聚产物。这种对光环化和光环加成反应的普遍不反应性导致了对光物理性质的进一步研究和描述。测量和计算光解以及荧光的量子产率。结果表明，氮在二苯乙烯类体系中的位置对光物理性质起着重要作用。定义了光物理特性和构型异构之间的联系。介质的极性效应对光行为有复杂的影响，测量的效应可能不仅仅来自极性。

  DOI：

  10.1016/j.molstruc.2018.06.005

文献信息

• SERS Reporter Molecules and Methods
  申请人：Cabot Security Materials, Inc.

  公开号：US20140194605A1

  公开（公告）日：2014-07-10

  A SERS tag comprising a core comprising at least two aggregated particles of a SERS enhancing material wherein the contact point between the particles defines a crevice; and a reporter molecule having a length sufficiently short to fit into the crevice and a conjugated path length which is as large as possible, provided the overall reporter molecule length is maintained sufficiently short to fit into the crevice.

  一种SERS标记，包括至少两个聚集的SERS增强材料颗粒组成的核心，其中颗粒之间的接触点定义了一个裂缝；以及一种记者分子，其长度足够短以适应裂缝，并且具有尽可能大的共轭路径长度，前提是整体记者分子长度保持足够短以适应裂缝。
• Di-, Tri-, and Tetranucleating Pyridyl Ligands Which Facilitate Multicenter Magnetic Exchange between Paramagnetic Molybdenum Centers
  作者：Angelo J. Amoroso、Alexander M. W. Cargill Thompson、John P. Maher、Jon A. McCleverty、Michael D. Ward

  DOI：10.1021/ic00123a017

  日期：1995.9

  Two series of di-, tri- and tetranucleating bridging ligands have been prepared comprising 4-pyridyl binding sites radiating out from a central aromatic core, linked by ethenyl (series A) or ethynyl (series B) conjugated spacers. All of the ligands were prepared by a simple one-pot Heck coupling reaction between 4-vinylpyridine (series A) or 4-ethynylpyridine (series B) and the appropriate polybromobenzene. Complexes with these ligands were prepared by attachment of paramagnetic Mo(NO)Tp*Cl} fragments to some or all of the pyridyl binding sites of the ligands. Electrochemical studies showed that (i) the redox splitting Delta E(1/2) between the 17-electron/18-electron couples of the Mo centers varies with the substitution pattern of the bridging ligand, such that ortho and para relationships between two Mo(NO)Tp*Cl} fragments result in stronger interactions than a meta relationship and that (ii) ligand series A, with ethenyl spacers between the pyridyl termini and the central aromatic ring, gives slightly stronger electrochemical interactions than does ligand series B, which contains ethynyl spacers. EPR spectra showed that in all complexes of nuclearity two or more, magnetic exchange between the unpaired electrons is occurring; i.e., all unpaired electrons apparently couple to all molybdenum nuclei. The triangular trinuclear complexes and rectangular tetranuclear complexes represent the first examples of well-defined complexes where multicenter magnetic exchange is unequivocally apparent from the EPR spectra.
• Synthesis, spectroscopic characterization and photophysical investigations of new di-(2/3)-pyridine-stilbenes; isomerism, nitrogen position influence and solvent effects
  作者：Ivana Šagud、Valentina Milašinović、Krešimir Molčanov、Željko Marinić、Irena Škorić

  DOI：10.1016/j.molstruc.2018.06.005

  日期：2018.11

  analogues with the pyridine ring, that is di-(pyridin-2/3/4-yl)vinyl)benzenes, were synthesized, purified and completely spectroscopically characterized. Upon irradiation these di-(pyridin-3/4-yl)vinyl)benzenes showed no other process but isomerization, in conditions for both intra- and intermolecular reactions. Compound di-(pyridin-2-yl)vinyl)benzene gave by intermolecular cycloaddition reaction, in trace

  摘要 合成、纯化并完全光谱表征了具有吡啶环的二苯乙烯类似物，即二-(吡啶-2/3/4-基)乙烯基)苯。在进行分子内和分子间反应的条件下，这些二-(吡啶-3/4-基)乙烯基)苯在辐照时没有表现出除异构化之外的其他过程。化合物二-(吡啶-2-基)乙烯基)苯通过分子间环加成反应得到痕量的二聚产物。这种对光环化和光环加成反应的普遍不反应性导致了对光物理性质的进一步研究和描述。测量和计算光解以及荧光的量子产率。结果表明，氮在二苯乙烯类体系中的位置对光物理性质起着重要作用。定义了光物理特性和构型异构之间的联系。介质的极性效应对光行为有复杂的影响，测量的效应可能不仅仅来自极性。