3-Iodperylen | 20589-64-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 3-Iodperylen
• 英文别名: 3-Iodoperylene
• CAS: 20589-64-4
• 化学式: C₂₀H₁₁I
• 分子量: 378.212
• InChiKey: VWUUFQYCQONEEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3-Iodperylen 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 10.17h， 生成 3-乙炔基苝
  参考文献：
  名称：

  Nucleobase Recognition by Artificial Receptors Possessing a Ferrocene Skeleton as a Novel Modular Unit for Hydrogen Bonding and Stacking Interactions

  摘要：

  Novel ferrocene-modified artificial nucleobase receptors were designed and synthesized. The nucleobase receptors possess hydrogen-bonding and pi-stacking interaction sites that act simultaneously for binding to 1-butylthymine utilizing the pivot character of the ferrocene skeleton. Diamidopyridine was chosen for the hydrogen-bonding moiety, and various polynuclear aromatics were used for pi-stacking one. The two components were tethered to the cyclopentadienyl rings via ethynediyl and oxymethylene spacers. The binding affinity of the receptors to 1-butylthymine was found to be dependent on the aromatic structures. Thus, the association constants for perylene-linked receptors were approximately doubled compared to those of aromatic-free ones, an energy difference of similar to 0.5 kcal/mol. Detailed comparisons between the 10 receptors clarified the value of the pivot character of the ferrocene for construction of the intermolecular interaction site.

  DOI：

  10.1021/jo982138u
• 作为产物：
  描述：

  3-Aminoperylene 在 硫酸 、 potassium iodide 、 sodium nitrite 作用下， 生成 3-Iodperylen
  参考文献：
  名称：

  Nucleobase Recognition by Artificial Receptors Possessing a Ferrocene Skeleton as a Novel Modular Unit for Hydrogen Bonding and Stacking Interactions

  摘要：

  Novel ferrocene-modified artificial nucleobase receptors were designed and synthesized. The nucleobase receptors possess hydrogen-bonding and pi-stacking interaction sites that act simultaneously for binding to 1-butylthymine utilizing the pivot character of the ferrocene skeleton. Diamidopyridine was chosen for the hydrogen-bonding moiety, and various polynuclear aromatics were used for pi-stacking one. The two components were tethered to the cyclopentadienyl rings via ethynediyl and oxymethylene spacers. The binding affinity of the receptors to 1-butylthymine was found to be dependent on the aromatic structures. Thus, the association constants for perylene-linked receptors were approximately doubled compared to those of aromatic-free ones, an energy difference of similar to 0.5 kcal/mol. Detailed comparisons between the 10 receptors clarified the value of the pivot character of the ferrocene for construction of the intermolecular interaction site.

  DOI：

  10.1021/jo982138u

文献信息

• [EN] ULTRA BRIGHT DIMERIC OR POLYMERIC DYES<br/>[FR] COLORANTS DIMÈRES OU POLYMÈRES ULTRA-BRILLANTS
  申请人：SONY CORP

  公开号：WO2017173355A1

  公开（公告）日：2017-10-05

  Compounds useful as fluorescent or colored dyes are disclosed. The compounds have the following structure (I) or a stereoisomer, tautomer or salt thereof, wherein R1, R2, R3, R4, R5, L1, L2, L3, L4, M, m and n are as defined herein. Methods associated with preparation and use of such compounds are also provided.

  披露了作为荧光或有色染料有用的化合物。这些化合物具有以下结构（I）或其立体异构体、互变异构体或盐，其中R1、R2、R3、R4、R5、L1、L2、L3、L4、M、m和n如本文所定义。还提供了与这些化合物的制备和使用相关的方法。
• [EN] ULTRA BRIGHT DIMERIC OR POLYMERIC DYES WITH RIGID SPACING GROUPS<br/>[FR] COLORANTS DIMÈRES OU POLYMÈRES ULTRA-BRILLANTS À GROUPES D'ESPACEMENT RIGIDES
  申请人：SONY CORP

  公开号：WO2017173348A1

  公开（公告）日：2017-10-05

  Compounds useful as fluorescent or colored dyes are disclosed. The compounds have the following structure (I) or a stereoisomer, tautomer or salt thereof, wherein R1, R2, R3, R4, R5, L1, L2, L3, L4, L5, A, M, m and n are as defined herein. Methods associated with preparation and use of such compounds are also provided.

  本发明公开了作为荧光染料或有色染料有用的化合物。这些化合物具有以下结构（I）或其立体异构体、互变异构体或盐，其中R1、R2、R3、R4、R5、L1、L2、L3、L4、L5、A、M、m和n如本文所定义。还提供了与制备和使用这些化合物相关的方法。
• Synthesis, Structure, and Redox Chemistry of Ethenyl and Ethynyl Ferrocene Polyaromatic Dyads
  作者：Laurence Cuffe、Richard D. A. Hudson、John F. Gallagher、Sarah Jennings、C. John McAdam、Rosamond B. T. Connelly、Anthony R. Manning、Brian. H. Robinson、Jim Simpson

  DOI：10.1021/om0492653

  日期：2005.4.1

  structures. In the solid state all ethynyl dyads have the aromatic ring orthogonal to the ferrocenyl cyclopentadienyl rings, whereas calculations predict a coplanar orientation. Calculated and observed structures agree for the ethenyl dyads with the rings orthogonal and coplanar for the anthryl and pyrenyl dyads, respectively. In most cases the solid-state structures are stabilized by offset π-stacking

  一系列二茂铁基-芳烃二联体，Fc-C⋮C-Ar，反式-Fc-CH CH-Ar和Fc-CH CH-CH合成了CH-Ar（Ar =苯基，1-萘基，2-萘基，9-菲基，9-蒽基，1-吡啶基，3-per基）。讨论了它们的结构和光谱电化学性质。已经通过X射线衍射确定了几种分子的结构，并将观察到的结构与总的自由能最小化的计算结构进行了比较。在固态下，所有乙炔基二元都有一个与二茂铁基环戊二烯基环正交的芳环，而计算预测其共面取向。所计算和观察到的结构对于乙烯基二元化合物是一致的，对于蒽基和pyr基二元化合物分别是正交的环和共面的环。在大多数情况下，固态结构通过多环烃环之间的偏移π堆积相互作用来稳定。中性二元组电子光谱中的两个谱带归因于各个芳基和二茂铁基端基。在[Fc]处氧化+ / 0对，二茂铁基跃迁被低能量的LMCT谱带所取代，而近红外光谱中的新弱谱带被赋予Fc + ←芳基跃迁；这些分配得到共振拉曼光谱的支持，并且Fc
• Aromatic compounds and organic electronic device using the same
  申请人：Gracel Display Inc.

  公开号：EP2182040A2

  公开（公告）日：2010-05-05

  Provided are novel compounds for organic electronic material, and organic electronic devices comprising the same. Specifically, the compounds for organic electronic material according to the invention are characterized in that they are represented by Chemical Formula (1) or (2): wherein, R1, R2 and R3 cannot be hydrogen all at the same time; excluding the case wherein R1-L1- , R2-L2- or R3-L3- independently represents diphenylamino group ( -NPh2).

  本发明提供了用于有机电子材料的新型化合物，以及由其构成的有机电子器件。具体地说，根据本发明的有机电子材料化合物，其特征在于它们由化学式（1）或（2）表示： 其中，R1、R2 和 R3 不能同时为氢；不包括 R1-L1-、R2-L2-或 R3-L3- 独立代表二苯基氨基（-NPh2）的情况。
• NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME
  申请人：LG Chem, Ltd.

  公开号：EP3480194A1

  公开（公告）日：2019-05-08

  The present invention relates to a novel heterocyclic compound and an organic light emitting device comprising the same.

  本发明涉及一种新型杂环化合物和由其组成的有机发光器件。