5'-bromo-4,4"-dimethyl-m-terphenyl | 918964-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5'-bromo-4,4"-dimethyl-m-terphenyl
• 英文别名: 5'-Bromo-4,4''-dimethyl-1,1':3',1''-terphenyl；1-bromo-3,5-bis(4-methylphenyl)benzene
• CAS: 918964-52-0
• 化学式: C₂₀H₁₇Br
• 分子量: 337.259
• InChiKey: PBPZUKVOJHAPEH-UHFFFAOYSA-N

物化性质

• 熔点：
  126-130℃
• 沸点：
  424.2±14.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  5'-bromo-4,4"-dimethyl-m-terphenyl 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 40.0h， 以80%的产率得到5'-Bromo-4,4''-bis-bromomethyl-[1,1';3',1'']terphenyl
  参考文献：
  名称：

  Synthesis, complexation studies and biological applications of some novel stilbenophanes, indolophanes and bisindolostilbenophanes via McMurry coupling

  摘要：

  Various types of stilbenophanes, indolophanes and bisindolostilbenophanes were synthesized by intra-, inter- and tandem intra-, intermolecular McMurry coupling. Some of the indolophanes and bisindolostilbenophanes exhibited significant activity against the growth of various bacteria. Complexation of some of the cyclophanes with TCNQ has also been studied. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.078
• 作为产物：
  描述：

  1,3,5-三溴苯 、 对溴甲苯 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到5'-bromo-4,4"-dimethyl-m-terphenyl
  参考文献：
  名称：

  Synthesis, complexation studies and biological applications of some novel stilbenophanes, indolophanes and bisindolostilbenophanes via McMurry coupling

  摘要：

  Various types of stilbenophanes, indolophanes and bisindolostilbenophanes were synthesized by intra-, inter- and tandem intra-, intermolecular McMurry coupling. Some of the indolophanes and bisindolostilbenophanes exhibited significant activity against the growth of various bacteria. Complexation of some of the cyclophanes with TCNQ has also been studied. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.078

文献信息

• [EN] SINGLE TRIPHENYLENE CHROMOPHORES IN PHOSPHORESCENT LIGHT EMITTING DIODES<br/>[FR] CHROMOPHORES À TRIPHÉNYLÈNE SIMPLE DANS DES DIODES ÉLECTROLUMINESCENTES PHOSPHORESCENTES
  申请人：UNIVERSAL DISPLAY CORP

  公开号：WO2009021107A1

  公开（公告）日：2009-02-12

  Novel triphenylene compounds are provided. Specific examples include multi-aryl-substituted triphenylenes. A preferred group of compounds are triphenylenes that are substituted with a non-fused aryl group having one or more meta-substituents, where each meta-substituent is a non-fused aryl group optionally substituted with further substituents selected from the group consisting of non-fused aryl groups and alkyl groups. A further preferred group of compounds are triphenylenes that are substituted with a non-fused heteroaryl group having one or more meta-substituents, where each meta-substituent is a non-fused aryl or heteroaryl group optionally substituted with further substituents selected from the group consisting of non-fused aryl groups, non-fused heteroaryl groups, and alkyl groups. Some high triplet energy analogs are expected to work with deep blue phosphorescent dopants. The compounds may be useful in phosphorescent organic light emitting devices. Also provided is an organic electroluminescent device comprising an anode, a cathode, and an emissive layer between the anode and the cathode, the emissive layer comprising a phosphorescent material and a compound having a repeat unit, the repeat unit containing a triphenylene moiety.

  提供了新型三苯基化合物。具体示例包括多芳基取代的三苯基化合物。一组首选化合物是被非融合芳基取代的三苯基化合物，该芳基具有一个或多个间位取代基，其中每个间位取代基是一个非融合芳基，可选地取代有来自非融合芳基和烷基组的进一步取代基。另一组首选化合物是被非融合杂芳基取代的三苯基化合物，该杂芳基具有一个或多个间位取代基，其中每个间位取代基是一个非融合芳基或杂芳基，可选地取代有来自非融合芳基、非融合杂芳基和烷基组的进一步取代基。预计一些高三重态能量的类似物将与深蓝色磷光掺杂剂配合使用。这些化合物可能在磷光有机发光器件中有用。还提供了一种有机电致发光器件，包括阳极、阴极和位于阳极和阴极之间的发射层，该发射层包括一个磷光材料和一个含有三苯基单元的化合物。
• Violet-blue- or pure-blue-emitting triphenylamine derivatives: synthesis and properties
  作者：Zhi-Ping Wu、Gui-Jun Liu、Cai-Cai Zhu、Zhi-Mei Li、Xi-Cun Gao、Qian-Yong Cao

  DOI：10.1139/cjc-2012-0473

  日期：2013.11

  We report the synthesis and optoelectronic properties of a series of nine triphenylamine derivatives. They were synthesized by Suzuki cross-coupling reactions and characterized by elemental analysis, nuclear magnetic resonance, ultraviolet visible absorption spectra, fluorescence spectra, and cyclic voltammetry. All compounds exhibit reversibly electrochemical behavior. In solid state, compounds 5 and 9 emit near violet blue and compounds 1, 2, 4, 6, 7, and 8 emit deep blue or pure blue and compound 3 emits green. Of all of these compounds, compounds 1, 3, 4, and 8 exhibit high fluorescence quantum yields (44%–68%) with the best coplanarity. Compared with them, compounds 5 and 9 have the lowest fluorescence quantum yields due to the least coplanarity. With the similarity in structure with those reported in literature, these compounds can be potentially useful for blue-emitting, host, and up-converting materials.

  我们报告了一系列九种三苯胺衍生物的合成和光电特性。它们通过铃木偶联反应合成，并通过元素分析、核磁共振、紫外可见吸收光谱、荧光光谱和循环伏安法进行表征。所有化合物均表现出可逆的电化学行为。在固态中，化合物5和9发出近紫蓝色光，化合物1、2、4、6、7和8发出深蓝色或纯蓝色光，化合物3发出绿色光。在所有这些化合物中，化合物1、3、4和8表现出高荧光量子产率（44%–68%），并具有最佳的共面性。与它们相比，化合物5和9由于共面性最差，荧光量子产率最低。与文献中报道的结构相似，这些化合物有望用于蓝光发射、宿主和上转换材料。
• Controlled Monoarylation of Dibromoarenes in Water with a Polymeric Palladium Catalyst
  作者：Yasuhiro Uozumi、Makoto Kikuchi

  DOI：10.1055/s-2005-871540

  日期：——

  Suzuki-Miyaura cross-coupling with arylboronic acids with an amphiphilic polystyrene-poly(ethylene glycol) (PS-PEG) resin-supported phosphine-palladium complex in water under heterogeneous conditions to give bromobiaryls in high yields. Introduction of two different aryl groups on a aromatic moiety was achieved in a one-pot reaction by successive addition of two kinds of arylboronic acids under similar conditions

  通过 Suzuki-Miyaura 与芳基硼酸与两亲性聚苯乙烯-聚（乙二醇）（PS-PEG）树脂负载的膦-钯络合物在水中在非均相条件下进行高选择性单芳基化，得到溴代二芳基化合物高产量。通过在相似条件下连续加入两种芳基硼酸，在一锅反应中实现了在芳族部分上引入两个不同的芳基。聚合钯催化剂可以容易地回收和再循环。
• SINGLE TRIPHENYLENE CHROMOPHORES IN PHOSPHORESCENT LIGHT EMITTING DIODES
  申请人：Brooks Jason

  公开号：US20110084599A1

  公开（公告）日：2011-04-14

  Novel triphenylene compounds are provided. Specific examples include multi-aryl-substituted triphenylenes. A preferred group of compounds are triphenylenes that are substituted with a non-fused aryl group having one or more meta-substituents, where each meta-substituent is a non-fused aryl group optionally substituted with further substituents selected from the group consisting of non-fused aryl groups and alkyl groups. A further preferred group of compounds are triphenylenes that are substituted with a non-fused heteroaryl group having one or more meta-substituents, where each meta-substituent is a non-fused aryl or heteroaryl group optionally substituted with further substituents selected from the group consisting of non-fused aryl groups, non-fused heteroaryl groups, and alkyl groups. Some high triplet energy analogs are expected to work with deep blue phosphorescent dopants. The compounds may be useful in phosphorescent organic light emitting devices. Also provided is an organic electroluminescent device comprising an anode, a cathode, and an emissive layer between the anode and the cathode, the emissive layer comprising a phosphorescent material and a compound having a repeat unit, the repeat unit containing a triphenylene moiety.

  提供了新型三苯基烯化合物。具体例子包括多芳基取代的三苯基烯。首选化合物组是取代有一个或多个间位取代基的非融合芳基基团的三苯基烯，其中每个间位取代基是一个非融合芳基基团，可选地取代有选择自非融合芳基基团和烷基的进一步取代基。另一首选化合物组是取代有一个或多个间位取代基的非融合杂芳基基团的三苯基烯，其中每个间位取代基是一个非融合芳基或杂芳基基团，可选地取代有选择自非融合芳基基团、非融合杂芳基基团和烷基的进一步取代基。预计一些高三重态能量的类似物将与深蓝色磷光掺杂剂配合使用。这些化合物可能在磷光有机发光器件中有用。还提供了一种有机电致发光装置，包括阳极、阴极和位于阳极和阴极之间的发射层，该发射层包括磷光材料和具有重复单元的化合物，重复单元含有三苯基烯基团。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20150001524A1

  公开（公告）日：2015-01-01

  Disclosed is a compound having substructure F: wherein R′ 1 is a straight or branched chain of two or more non-fused aryl or non-fused heteroaryl groups substituted with R a , wherein R a is a non-fused aryl or non-fused heteroaryl, a branched or straight chain of non-fused aryl or a non-fused heteroaryl, or an alkyl substituted non-fused aryl or an alkyl substituted non-fused heteroaryl group. The compounds may be useful in phosphorescent organic light emitting devices.

  揭示了一种具有亚结构F的化合物：其中R′1是由两个或更多非融合芳基或非融合杂芳基基团取代的直链或支链，其中基团Ra是非融合芳基或非融合杂芳基，非融合芳基的支链或直链，或烷基取代的非融合芳基或烷基取代的非融合杂芳基基团。这些化合物可能在磷光有机发光器件中有用。