4-(tert-butyl)-2-(2,4-difluorophenyl)pyridine | 583052-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(tert-butyl)-2-(2,4-difluorophenyl)pyridine
• 英文别名: 2-(2',4'-difluorophenyl)-4-tert-butyl-pyridine；2-(2',4'-difluorophenyl)-4-tertiary butylpyridine；4-tert-butyl-2-(2,4-difluorophenyl)pyridine
• CAS: 583052-24-8
• 化学式: C₁₅H₁₅F₂N
• 分子量: 247.288
• InChiKey: WVAZMTOPXXDDOT-UHFFFAOYSA-N

物化性质

• 沸点：
  319.0±42.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(tert-butyl)-2-(2,4-difluorophenyl)pyridine 在 ammonium hydroxide 、 碘 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-Tert-butylpyridin-2-yl)-2,6-difluorobenzonitrile
  参考文献：
  名称：

  Synthesis and characterization of highly efficient blue Ir(III) complexes by tailoring β-diketonate ancillary ligand for highly efficient PhOLED applications

  摘要：

  We synthesized two new heteroleptic blue-emitting Ir(III) complexes tBuCN-FlrmMes and tBuCN-FIrdMes by using systematically tailored ancillary ligands 1-mesitylbutane-1,3-dione (mMes) and 1,3-dimesitylpropane-1,3-dione (dMes), respectively. Near-unity photoluminescence quantum yield (PLQY: 96 +/- 3%) was achieved for tBuCN-FlrmMes in doped films with short phosphorescence lifetime and high horizontal dipole ratio (Theta: 76%) than the di-mesityl complex, tBuCN-FIrdMes (PLQY: 75 +/- 3%, Theta: 71%). Here, introduction of mMes reduces the singlet-triplet splitting energy (Delta E-ST), permanent dipole moment (mu), and the symmetry of tBuCN-FlrmMes as compared with tBuCN-FIrdMes, these parameters can highly affect the PLQY and Theta values. As a result, the blue phosphorescent organic light-emitting diode (PhOLED) of tBuCN-FIrmMes exhibits high external quantum efficiency (EQE) of >= 20% throughout a wide luminance range 1000-10000 cd/m(2) with a very low efficiency roll-off, which is crucial for solid-state lighting applications. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2016.09.030
• 作为产物：
  描述：

  4-叔丁基-2-氯-吡啶 、 2,4-二氟苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 4-(tert-butyl)-2-(2,4-difluorophenyl)pyridine
  参考文献：
  名称：

  Synthesis and characterization of highly efficient blue Ir(III) complexes by tailoring β-diketonate ancillary ligand for highly efficient PhOLED applications

  摘要：

  We synthesized two new heteroleptic blue-emitting Ir(III) complexes tBuCN-FlrmMes and tBuCN-FIrdMes by using systematically tailored ancillary ligands 1-mesitylbutane-1,3-dione (mMes) and 1,3-dimesitylpropane-1,3-dione (dMes), respectively. Near-unity photoluminescence quantum yield (PLQY: 96 +/- 3%) was achieved for tBuCN-FlrmMes in doped films with short phosphorescence lifetime and high horizontal dipole ratio (Theta: 76%) than the di-mesityl complex, tBuCN-FIrdMes (PLQY: 75 +/- 3%, Theta: 71%). Here, introduction of mMes reduces the singlet-triplet splitting energy (Delta E-ST), permanent dipole moment (mu), and the symmetry of tBuCN-FlrmMes as compared with tBuCN-FIrdMes, these parameters can highly affect the PLQY and Theta values. As a result, the blue phosphorescent organic light-emitting diode (PhOLED) of tBuCN-FIrmMes exhibits high external quantum efficiency (EQE) of >= 20% throughout a wide luminance range 1000-10000 cd/m(2) with a very low efficiency roll-off, which is crucial for solid-state lighting applications. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2016.09.030

文献信息

• Heteroleptic iridium complex bearing diazolate chelate
  申请人：National Tsing Hua University

  公开号：US08957208B1

  公开（公告）日：2015-02-17

  A heteroleptic iridium complex of a formula (I): where R1 and R2 are each independently hydrogen, alkyl, fluoroalkyl, or aryl, X is C-X1 or nitrogen, X1 being hydrogen or phenyl, L1 is a monoanionic bidentate ligand, and L2 is a neutral bidentate ligand.

  一种杂环配合物，其化学式为（I）：其中R1和R2各自独立地为氢、烷基、氟烷基或芳基，X为C-X1或氮，其中X1为氢或苯基，L1为单阴离子双齿配体，L2为中性双齿配体。
• Precise Design of Phosphorescent Molecular Butterflies with Tunable Photoinduced Structural Change and Dual Emission
  作者：Chenkun Zhou、Yu Tian、Zhao Yuan、Mingu Han、Jamie Wang、Lei Zhu、Maliheh Shaban Tameh、Chen Huang、Biwu Ma

  DOI：10.1002/anie.201505185

  日期：2015.8.10

  Photoinduced structural change (PSC) is a fundamental excited‐state dynamic process in chemical and biological systems. However, precise control of PSC processes is very challenging, owing to the lack of guidelines for designing excited‐state potential energy surfaces (PESs). A series of rationally designed butterfly‐like phosphorescent binuclear platinum complexes that undergo controlled PSC by Pt–Pt

  光诱导结构变化（PSC）是化学和生物系统中一个基本的激发态动态过程。但是，由于缺乏设计激发态势能面（PES）的准则，对PSC过程的精确控制非常具有挑战性。本文报道了一系列经过合理设计的蝴蝶状磷光双核铂络合物，它们通过缩短Pt–Pt的距离进行了PSC控制，并表现出可调的双（绿蓝和红）发射。基于Bell–Evans–Polanyi原理，论证了如何控制PSC的能垒，可以将其描述为第一个三重态激发态PES上两个能量最小值之间的类似化学反应的过程。通过合成手段。
• Blue-Emitting Organometallic Complexes And Their Application
  申请人：Chi Yun

  公开号：US20080125591A1

  公开（公告）日：2008-05-29

  The present invention discloses organometallic complexes with transition metal elements and their application in fabrication of a variety of light-emitting devices. The mentioned organometallic complexes can serve as emitting material or dopant for blue phosphorescent organic light-emitting devices with excellent performance. The mentioned organometallic complexes have a general formula as the following: Wherein M represents a transition metal element, and Q 1 and Q 2 respectively represent an atomic group forming a nitrogen-containing heterocyclic ring as a five member ring, a six member ring, or a seven member ring.

  本发明公开了含有过渡金属元素的有机金属配合物及其在制造各种发光器件中的应用。所述有机金属配合物可作为发射材料或掺杂剂用于具有优异性能的蓝色磷光有机发光器件。所述有机金属配合物的一般式如下：其中，M代表过渡金属元素，Q1和Q2分别表示形成含氮杂环环的原子团，该含氮杂环环为五元环、六元环或七元环。
• IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE OBTAINED BY USING THE SAME, AND USES OF THE DEVICE
  申请人：Igarashi Takeshi

  公开号：US20090315454A1

  公开（公告）日：2009-12-24

  The present invention provides an organic EL device having a high luminous efficiency and a long life, and an iridium complex compound used for preparing the above device. The iridium complex compound is represented by the following Formula (1): [in Formula (1), R 1 to R 4 are each independently a specific group; at least one of R 1 to R 4 is a group having 2 or more carbon atoms; R 5 to R 8 are each independently a specific group; and at least one of R 5 to R 8 is a specific electron-withdrawing group; (with the proviso that R 1 to R 8 are not combined with each other to form rings)].

  本发明提供了一种具有高发光效率和长寿命的有机EL器件，以及用于制备上述器件的铱配合物化合物。铱配合物化合物由以下公式（1）表示：[在公式（1）中，R1至R4各自独立地表示特定的基团；至少有一个R1至R4是具有2个或更多碳原子的基团；R5至R8各自独立地表示特定的基团；并且至少有一个R5至R8是特定的电子吸引基团；（前提是R1至R8不与彼此结合形成环）]。
• IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USE THEREFOR
  申请人：Showa Denko K.K.

  公开号：EP2508527A1

  公开（公告）日：2012-10-10

  It is an object of the present invention to provide a red phosphorescent compound having a high emission quantum yield, which is used for producing organic EL elements. The red phosphorescent compound of the present invention is an iridium complex compound represented by the following formula (1). In the formula (1), L1 is selected from the following formulas (2) and (3).

  本发明的目的是提供一种具有高发射量子产率的红色磷光化合物，用于生产有机 EL 元素。本发明的红色磷光化合物是由下式（1）表示的铱络合物。在式 (1) 中，L1 选自下式 (2) 和 (3)。