2-cyanopyrene | 1903-15-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-cyanopyrene
• 英文别名: pyrene-2-carbonitrile；2-Cyan-pyren；4-Cyan-pyren；Pyren-2-carbonitril；Pyrenecarbonitrile
• CAS: 1903-15-7
• 化学式: C₁₇H₉N
• 分子量: 227.265
• InChiKey: OMIHXOAMBGZVHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-cyanopyrene 在 一水合肼 作用下， 生成 2-甲基芘
  参考文献：
  名称：

  Vollmann et al., Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,142

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 五氯化磷 、 三氯苯 作用下， 生成 2-cyanopyrene
  参考文献：
  名称：

  Vollmann et al., Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,141

  摘要：

  DOI：

文献信息

• Preparation of Thioanisole Biscarbanion and C–H Lithiation/Annulation Reactions for the Access of Five-Membered Heterocycles
  作者：Ranran Zhu、Zheyuan Liu、Jie Chen、Xiaoyu Xiong、Yuntao Wang、Lin Huang、Jinshan Bai、Yanfeng Dang、Jianhui Huang

  DOI：10.1021/acs.orglett.8b00850

  日期：2018.6.1

  The synthesis, isolation, and X-ray structure of a thioanisole-based trilithium complex are reported. On the basis of the double-lithiation strategy, two novel synthetic methodologies have been developed under mild reaction conditions (room temperature): (1) reactions of lithiated thioanisoles with nitriles give benzoisothiazoles via a [3 + 2]-type of approach with two new bond formations and (2) formation

  报道了基于硫代苯甲醚的三锂配合物的合成，分离和X射线结构。在双重锂化策略的基础上，在温和的反应条件（室温）下开发了两种新颖的合成方法：（1）锂硫代苯甲醚与腈的反应通过[3 + 2]型方法得到苯并异噻唑，其中两种新的键形成和（2）通过[4 +1]模式由硫代苯甲醚和酰胺形成苯并噻吩，形成4个新的化学键。
• Polyaminopyridines and method for producing same
  申请人：Kanbara Takaki

  公开号：US20060293503A1

  公开（公告）日：2006-12-28

  The present invention provides novel polyaminopyridines which are excellent in solubility in various solvents, and are preferably used in a polymer-type organic electroluminescent material, and a process for preparing the same. More particularly, the present invention provides polyaminopyridines having a repetition structural unit represented by the following general formula (1); and having a number average molecular weight in a range of 500 to 1000000.

  本发明提供了新型的聚氨基吡啶，其在各种溶剂中具有优异的溶解性，并且最好用于聚合物型有机电致发光材料，并提供了制备它们的过程。更具体地，本发明提供了具有以下一般式（1）所表示的重复结构单元的聚氨基吡啶，其具有500至1000000之间的数均分子量。
• POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP1669390A1

  公开（公告）日：2006-06-14

  The present invention provides novel polyaminopyridines which are excellent in solubility in various solvents, and are preferably used in a polymer-type organic electroluminescent material, and a process for preparing the same. More particularly, the present invention provides polyaminopyridines having a repetition structural unit represented by the following general formula (1); and having a number average molecular weight in a range of 500 to 1000000.

  本发明提供了在各种溶剂中溶解性极佳的新型聚氨基吡啶，优选用于聚合物型有机电致发光材料，并提供了制备该材料的工艺。更具体地说，本发明提供了具有以下通式（1）所代表的重复结构单元的聚氨基吡啶； 且平均分子量在 500 至 1000000 之间。
• Synthesis and Photophysics of a 2,7-Disubstituted Donor–Acceptor Pyrene Derivative: An Example of the Application of Sequential Ir-Catalyzed C–H Borylation and Substitution Chemistry
  作者：Lei Ji、Andreas Lorbach、Robert M. Edkins、Todd B. Marder

  DOI：10.1021/acs.joc.5b00618

  日期：2015.6.5

  We report a general and selective method to synthesize 2,7-disubstituted pyrene derivatives containing two different substituents by sequential Ir-catalyzed borylation and substitution chemistry. To demonstrate the utility of our approach, we synthesized 2-cyano-7-(N,N-diethylamino)pyrene (3); a pyrene analogue of the widely studied chromophore 4-(N,N-dimethylamino)benzonitrile (DMABN). Compound 3 and the monosubstituted compounds 2-(N,N-diethylamino)pyrene (1) and 2-cyanopyrene (2) have been structurally characterized. Their electronic and optical properties have been studied by a combination of absorption and emission spectroscopies, lifetime and quantum yield measurements, and modeling by DFT and TD-DFT. The photophysical properties of 3 are compared to those of DMABN and 2-cyano-7-(N,N-dimethylamino)-4,5,9,10-tetrahydropyrene, and we show that 2,7-disubstituted pyrene is a moderately effective pi-bridge for the construction of donor acceptor compounds. It is also shown that donor or acceptor groups are only effective at the 2,7-positions of pyrene if they are suitably strong, leading to a switch in the energetic ordering of the HOMO-1 and HOMO or the LUMO and LUMO+1 of pyrene, respectively.
• Vollmann et al., Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,141
  作者：Vollmann et al.

  DOI：——

  日期：——