1-(p-tolyl)-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(p-tolyl)-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole
• 英文别名: 2-[5-[1-(4-Methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile；2-[5-[1-(4-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
• 化学式: C₂₄H₁₄N₄S₂
• 分子量: 422.534
• InChiKey: CNHXUMDTVGBHLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,4-双(2-噻吩基)-1,4-丁二酮 以 溶剂黄146 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 24.0h， 生成 1-(p-tolyl)-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole
  参考文献：
  名称：

  Facile Formation of Stable Crystals with Gold-like Metallic Luster from Organic Molecules: 1-Aryl-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrroles

  摘要：

  1- 苯基-2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯（1a）的衍生物形成了具有金色或青铜色金属光泽的晶体。如果在 1-苯基的对位上添加一个小取代基，则会形成具有金色光泽的晶体。相反，在 1-苯基的对位上具有较长烷基链的 1 的衍生物则会形成古铜色晶体。类金色光泽晶体具有片状结构。在片状结构中，1 的分子通过氰基氮与最近的噻吩环或吡咯环的氢的分子间相互作用而彼此靠近，从而使氰基与最近的噻吩环和吡咯环并排相互作用。青铜晶体具有长烷基链的薄片结构，被两个 π 电子壁夹在中间。在壁中，2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯分子以带状结构排列，相互影响。本文讨论了 2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯分子的排列与晶体金属色的关系。

  DOI：

  10.1246/bcsj.75.2359

文献信息

• Metallic image forming method
  申请人：CANON KABUSHIKI KAISHA

  公开号：US10557050B2

  公开（公告）日：2020-02-11

  A metallic image forming method is a method for forming a metallic image with a metallic ink containing an organic coloring agent capable of exhibiting a metallic color on a recording medium provided with an undercoat layer thereon having a black color or an opposite color to the color of diffused light from the metallic ink. The method includes applying the metallic ink onto the recording medium so as to cover at least part of the undercoat layer.

  一种金属图像形成方法是用含有有机着色剂的金属墨水在记录介质上形成金属图像的方法，记录介质上有底涂层，底涂层的颜色为黑色或与金属墨水漫射光的颜色相反。该方法包括将金属墨水涂在记录介质上，以覆盖底涂层的至少一部分。
• METALLIC IMAGE FORMING METHOD
  申请人：Canon Kabushiki Kaisha

  公开号：EP3129235A1

  公开（公告）日：2017-02-15
• AQUEOUS INK FOR INKJETTING
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20170029642A1

  公开（公告）日：2017-02-02

  An aqueous ink for inkjetting, capable of recording an image exhibiting a natural metallic color with reduced diffused light having a color hue different from the desired metallic color by an inkjetting method, is provided. The aqueous ink for inkjetting includes organic colorant particles made of an organic colorant giving a metallic color, and a black color dye. Alternatively the aqueous ink for inkjetting includes metal particles giving a metallic color on a recording medium, and a black color dye.
• [EN] METALLIC IMAGE FORMING METHOD<br/>[FR] PROCÉDÉ DE FORMATION D'IMAGE MÉTALLIQUE
  申请人：CANON KK

  公开号：WO2015174041A1

  公开（公告）日：2015-11-19

  A metallic image forming method is a method for forming a metallic image with a metallic ink containing an organic coloring agent capable of exhibiting a metallic color on a recording medium provided with an undercoat layer thereon having a black color or an opposite color to the color of diffused light from the metallic ink. The method includes applying the metallic ink onto the recording medium so as to cover at least part of the undercoat layer.
• Facile Formation of Stable Crystals with Gold-like Metallic Luster from Organic Molecules: 1-Aryl-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrroles
  作者：Katsuyuki Ogura、Rui Zhao、Hiroyuki Yanai、Kazuhiro Maeda、Ryo Tozawa、Shoji Matsumoto、Motohiro Akazome

  DOI：10.1246/bcsj.75.2359

  日期：2002.11

  The derivatives of 1-phenyl-2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole (1a) formed crystals with gold-like or bronze-like metallic luster. When a small substituent is located at the para position of the 1-phenyl group, gold-like lustrous crystals were formed. In contrast, the derivatives of 1 having a longer alkyl chain at the para position of the 1-phenyl group gave bronze-like crystals. The gold-like lustrous crystals have a sheet structure. In the sheet, the molecules of 1 are close to each other via the intermolecular interaction of cyano nitrogen with the hydrogen of the nearest thiophene or pyrrole ring, which enables the side-by-side interaction of the cyano group with the nearest thiophene and pyrrole rings. The bronze-like crystals have a lamella structure of the long alkyl chains that is sandwiched by two π-electron walls. In the wall, the 2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole moieties are arranged in a ribbon structure to interact to each other. The relationship of the arrangement of the 2-(2-thienyl)-5-[5-(tricyanoethenyl)-2-thienyl]pyrrole moieties with the metallic color of the crystals is discussed.

  1- 苯基-2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯（1a）的衍生物形成了具有金色或青铜色金属光泽的晶体。如果在 1-苯基的对位上添加一个小取代基，则会形成具有金色光泽的晶体。相反，在 1-苯基的对位上具有较长烷基链的 1 的衍生物则会形成古铜色晶体。类金色光泽晶体具有片状结构。在片状结构中，1 的分子通过氰基氮与最近的噻吩环或吡咯环的氢的分子间相互作用而彼此靠近，从而使氰基与最近的噻吩环和吡咯环并排相互作用。青铜晶体具有长烷基链的薄片结构，被两个 π 电子壁夹在中间。在壁中，2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯分子以带状结构排列，相互影响。本文讨论了 2-(2-噻吩基)-5-[5-(三氰基乙烯基)-2-噻吩基]吡咯分子的排列与晶体金属色的关系。