2,6,8-triphenyl-1,3,7-triazapyrene | 1025797-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类 - 二氮杂萘
• 英文名称: 2,6,8-triphenyl-1,3,7-triazapyrene
• 英文别名: 6,12,14-triphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
• CAS: 1025797-23-2
• 化学式: C₃₁H₁₉N₃
• 分子量: 433.512
• InChiKey: FNKZQSKWPHYGFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4,6-三苯基三嗪 、 1,8-二氨基萘 在 PPA 作用下， 反应 3.0h， 以30%的产率得到2,6,8-triphenyl-1,3,7-triazapyrene
  参考文献：
  名称：

  1,3,7-Triazapyrenes: the unexpected products of the reaction of 1,8-diaminonaphthalene with 1,3,5-triazines in polyphosphoric acid

  摘要：

  DOI：

  10.1007/s11172-007-0373-9

文献信息

• Synthesis of 1,3,7-triazapyrene and 1,2,3,7-tetraazapyrene derivatives as a result of anomalous Hoesch reaction
  作者：A. V. Aksenov、I. V. Borovlev、I. V. Aksenova、A. S. Lyakhovnenko、D. A. Kovalev

  DOI：10.1007/s11172-008-0034-7

  日期：2008.1

  Method for the synthesis of 6,8-diaryl-1,3,7-triazapyrenes and 6,8-diaryl-1,2,3,7-tetraazapyrenes, based on the reaction of 2-R-1H-perimidines and 1H-naphtho[1,8-de][1,2,3]triazine with aromatic nitriles in polyphosphoric acid, has been elaborated.

  6,8-二芳基-1,3,7-三氮杂芘和6,8-二芳基-1,2,3,7-四氮杂芘的合成方法，基于2-R-1H-perimidines和1H-的反应萘并[1,8-de][1,2,3]三嗪与芳香腈在多磷酸中的反应已详细说明。
• Unexpected result from the interaction of 1,8-diamino-naphthalene with aromatic nitriles in polyphosphoric acid
  作者：I. V. Aksenova、I. V. Borovlev、A. S. Lyakhovnenko、S. V. Pisarenko、A. V. Aksenov

  DOI：10.1007/s10593-007-0106-x

  日期：2007.5
• AZAPYRENES FOR ELECTRONIC APPLICATIONS
  申请人：BASF SE

  公开号：EP2313472B1

  公开（公告）日：2012-08-15
• US8193528B2
  申请人：——

  公开号：US8193528B2

  公开（公告）日：2012-06-05
• [EN] AZAPYRENES FOR ELECTRONIC APPLICATIONS<br/>[FR] AZAPYRÈNES POUR DES APPLICATIONS ÉLECTRONIQUES
  申请人：BASF SE

  公开号：WO2010006890A1

  公开（公告）日：2010-01-21

  The present invention relates to electronic devices, especially electroluminescent devices, comprising azapyrenes of formula (I), or formula (III), wherein Y1, Y2, Y3, Y4, X1, X2 and X3 are independently each other N, or CR4, with the proviso that at least one of the groups X1, X2 and X3 is a group CR4, R1 is hydrogen, F, -SiR100R101R102, or an organic substituent, R4 is hydrogen, F, -SiR100R101R102, or an organic substituent, or any of the substituents R1, R1' and R4, which are adjacent to each other, together form an aromatic, or heteroaromatic ring, or ring system, which can optionally be substituted, m is an integer of 1 to 6, and R100, R101 and R102 are independently of each other a C1-C8alkyl group, a C6-C24aryl group, or a C7-C12aralkylgroup, which may optionally be substituted, and Q is a linking group; with the proviso that in the compound of formula (III) at least one of the substituents R1, or R4 is a group Q; especially as host for phosphorescent emitters, electron transporting materials, or emitter materials. The hosts may function with phosphorescent materials to provide improved efficiency, stability, manufacturability, or spectral characteristics of electroluminescent devices.