7-tert-butyl-1,3-bis(N,N-diphenylamino)pyrene

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 7-tert-butyl-1,3-bis(N,N-diphenylamino)pyrene
• 英文别名: 7-tert-butyl-1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
• 化学式: C₄₄H₃₆N₂
• 分子量: 592.783
• InChiKey: HZMNTWCTMJSVGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-tert-butyl-1,3-bis(N,N-diphenylamino)pyrene 在 aluminum (III) chloride 作用下， 以 苯 为溶剂， 以Ca. 60 mg的产率得到1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
  参考文献：
  名称：

  LUMINESCENT COMPOUNDS

  摘要：

  提供一种具有I-IV式的化合物： 在公式中：Q1和Q2相同或不同，是一个单键，烃基芳基或氘代烃基芳基；Ar1-Ar4相同或不同，是烃基芳基，杂环芳基，其取代衍生物或氘代物，其中Ar1和Ar2可以结合形成咔唑基团，Ar3和Ar4可以结合形成咔唑基团；R1在每次出现时相同或不同，是D，F，CN，烷基，烷氧基，氟烷基，烃基芳基，芳氧基，杂环芳基，硅基，硅氧烷，硅氧基，锗基，氘代烷基，氘代部分氟代烷基，氘代烷氧基，氘代烃基芳基，氘代芳氧基，氘代杂环芳基，氘代杂环芳基氘代硅基，氘代硅氧烷，氘代硅氧基或氘代锗基；a是0-4的整数；b和b1相同或不同，是0-2的整数；c是0-3的整数。

  公开号：

  US20170029362A1
• 作为产物：
  描述：

  芘,2-(1,1-二甲基乙基)- 在 三叔丁基膦 、 palladium diacetate 、 benzyltrimethylazanium tribroman-2-uide 、 sodium t-butanolate 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 36.0h， 生成 7-tert-butyl-1,3-bis(N,N-diphenylamino)pyrene
  参考文献：
  名称：

  Pyrene-Based Approach to Tune Emission Color from Blue to Yellow

  摘要：

  The development of functionalized, luminescent, pyrene-based monomers has been and continues to be an area of great interest in terms of the design and fabrication of optical and electronic devices. Herein, a facile strategy to tune the emission color of pyrene-based chromophores has been established by simple functional group modification at the para position to the diphenylamino on the donor building block. Intriguing photophysical properties were obtained and are described both in different solutions and in the solid state. The results obtained could be explained by the Hammett method and by density functional theory (DFT) calculations. A good correlation was observed between the Hammett sigma(para) constants of the functional groups para to the phenyl and the wavenumber (cm(-1)) of the emission profile. This positive correlation, namely between the sigma constants of the functional groups and the emission properties of the monomers, can be used to develop a predictive method for these types of systems.

  DOI：

  10.1021/acs.joc.7b00685

文献信息

• ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20200111965A1

  公开（公告）日：2020-04-09

  An organic electroluminescence device including a cathode, an anode, and an emitting layer disposed between the cathode and the anode, wherein the emitting layer contains a compound represented by the following formula (1) and one or more compounds selected from the group consisting of compounds represented by formulas (11), (21), (31), (41), (51), (61), (71) and (81). In the formula (1), at least one of R 1 to R 8 is a deuterium atom.

  一种有机电致发光器件，包括阴极、阳极以及设置在阴极和阳极之间的发光层，其中该发光层包含以下式（1）所表示的化合物和从以下式（11）、（21）、（31）、（41）、（51）、（61）、（71）和（81）所表示的化合物组成的化合物中选择的一个或多个化合物。在式（1）中，R1至R8中的至少一个是氘原子。
• Materials for Electronic Devices
  申请人：MERCK PATENT GMBH

  公开号：US20160133854A1

  公开（公告）日：2016-05-12

  The present invention relates to a compound, comprising a pyrene skeleton and arylamino groups, according to formula (I). The compound is suitable for use as a functional material in electronic devices.

  本发明涉及一种化合物，包括一个芘骨架和芳基氨基团，根据公式（I）。该化合物适用于作为电子器件中的功能材料。
• NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20220169656A1

  公开（公告）日：2022-06-02

  A compound having structures represented by the following formulas (1) or (2): wherein in the formulas (1) and (2), at least one of R 1 to R 8 is a deuterium atom.

  一种具有以下式子（1）或（2）所表示结构的化合物：其中在式子（1）和（2）中，至少一个R1至R8是氘原子。
• Materials for electronic devices
  申请人：Merck Patent GmbH

  公开号：US10381575B2

  公开（公告）日：2019-08-13

  The present invention relates to a compound, comprising a pyrene skeleton and arylamino groups, according to formula (I). The compound is suitable for use as a functional material in electronic devices.

  本发明涉及一种由芘骨架和芳基氨基组成的化合物，其结构如式（I）所示。该化合物适合用作电子设备中的功能材料。
• Organic electroluminescence device and electronic apparatus provided with the same
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US10777752B2

  公开（公告）日：2020-09-15

  An organic electroluminescence device including a cathode, an anode, and an emitting layer disposed between the cathode and the anode, wherein the emitting layer includes a compound represented by the following formula (1) and one or more compounds selected from the group consisting of compounds represented by formulas (11), (21), (31), (41), (51), (61), (71) and (81). In the formula (1), at least one of R1 to R8 is a deuterium atom, and Ar2 is a monovalent group represented by following formula (2), (3) or (4).

  一种有机电致发光器件，包括阴极、阳极和设置在阴极与阳极之间的发光层，其中发光层包括下式(1)所代表的化合物和一种或多种选自由式(11)、(21)、(31)、(41)、(51)、(61)、(71)和(81)所代表的化合物组成的化合物组。在式 (1) 中，R1 至 R8 中至少有一个是氘原子，Ar2 是下式 (2)、(3) 或 (4) 所代表的一价基团。