2,2,4,4,6,6-hexakis(4-methoxyphenoxy)cyclotriphosphazene | 229487-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,2,4,4,6,6-hexakis(4-methoxyphenoxy)cyclotriphosphazene
• 英文别名: 2,2,4,4,6,6-hexa(4-methoxyphenyl)cyclotriphosphazene；hexa(4-methoxyphenyl)cyclotriphosphazene；2,2,4,4,6,6-Hexakis(4-methoxyphenyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene；2,2,4,4,6,6-hexakis(4-methoxyphenyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• CAS: 229487-09-6
• 化学式: C₄₂H₄₂N₃O₆P₃
• 分子量: 777.733
• InChiKey: SUOHXQZQPTYCKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2,4,4,6,6-hexakis(4-methoxyphenoxy)cyclotriphosphazene 在 吡啶盐酸盐 作用下， 反应 3.0h， 生成 2,2,4,4,6,6-hexakis(4-hydroxyphenoxy)cyclotriphosphazene
  参考文献：
  名称：

  Preparation and Properties of Novel Cyclophosphazenes Containing Cyanato Groups

  摘要：

  Novel cyclotriphosphazenes containing cyanato group (PZCN) derivatives were synthesized by a substitution reaction of 4-hydroxyphenoxycyclotriphosphazenes and cyanogen bromide (BrCN) in the presence of triethylamine (TEA). The PZCNs were characterized by FT-IR, liquid chromatography-mass spectrometry (LC-MS), H-1 NMR, C-13 NMR, and P-31 NMR spectroscopy. Curing reactions of the PZCNs were evaluated by FT-IR spectroscopy, thermogravimetry/differential thermal analysis (TG/DTA), and differential scanning, calorimetry (DSC). The PZCNs exhibited an exothermic peak due to curing within the temperature range of 140-300 degrees C by DSC. The PZCNs were completely cured at 220 degrees C. The cured PZCNs exhibited high thermal stability up to 350 degrees C, a high char-forming capability, and electrical properties, such as dielectric constants (Dks) between 2.68 and 2.87, and dissipation factors (Dfs) between 0.008 and 0.013 at 1 MHz.

  DOI：

  10.1080/10426507.2012.710677
• 作为产物：
  描述：

  P,P-bis(4-methoxyphenyl)phosphinic amide 在 四氯化碳 、 三乙胺 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以50%的产率得到2,2,4,4,6,6-hexakis(4-methoxyphenoxy)cyclotriphosphazene
  参考文献：
  名称：

  用于蓝色磷光有机发光二极管的基于磷腈的主体材料

  摘要：

  我们提出了一系列基于环状磷腈的低分子量材料，用作蓝色磷光有机发光二极管的主体材料。取代的苯环通过磷-氧键连接至中央磷腈环，以生成苯氧基取代的衍生物，或通过直接的磷-碳键连接以生成苯基取代的衍生物。苯氧基取代的环磷腈是通过苯氧基将六氯环三磷腈中的六个氯原子进行亲核取代而制备的，而苯基取代的环磷腈是在三当量取代的次膦酰胺的环缩合反应中形成的。与苯氧基取代相比，苯基取代导致材料具有更好的热性能。由于与磷腈核的非共轭键合，主体材料的三重态能量非常高，超过3 eV。在使用一种化合物作为主体的饱和蓝色磷光发射体Ir（dbfmi）的OLED器件中，峰值功率效率为7.6 lm W达到–1和5000 cd m –2的峰值亮度。

  DOI：

  10.1021/cm201940f

文献信息

• CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES
  申请人：Fuchs Evelyn

  公开号：US20110172423A1

  公开（公告）日：2011-07-14

  An organic light-emitting diode comprising at least one cyclic phosphazene compound, a light-emitting layer formed from at least one matrix material and at least one emitter material, wherein the at least one matrix material comprises at least one cyclic phosphazene compound, the use of cyclic phosphazene compounds in organic light-emitting diodes and a device selected from the group consisting of stationary visual display units, mobile visual display units and illumination units comprising at least one inventive organic light-emitting diode, and selected cyclic phosphazene compounds and processes for preparing them.

  一种有机发光二极管，包括至少一种环状磷氮化合物，由至少一种基质材料和至少一种发光材料形成的发光层，其中至少一种基质材料包括至少一种环状磷氮化合物，在有机发光二极管中使用环状磷氮化合物以及从静态视觉显示单元、移动视觉显示单元和至少一个创新有机发光二极管组成的照明单元中选择的器件，以及选择的环状磷氮化合物和用于制备它们的方法。
• US8859110B2
  申请人：——

  公开号：US8859110B2

  公开（公告）日：2014-10-14
• [DE] CYCLISCHE PHOSPHAZENVERBINDUNGEN UND DEREN VERWENDUNG IN ORGANISCHEN LEUCHTDIODEN<br/>[EN] CYCLIC PHOSPHAZENE COMPOUNDS AND USE THEREOF IN ORGANIC LIGHT EMITTING DIODES<br/>[FR] LIAISONS PHOSPHAZÈNE CYCLIQUES ET LEUR UTILISATION DANS DES DIODES ÉLECTROLUMINESCENTES ORGANIQUES
  申请人：BASF SE

  公开号：WO2009153276A1

  公开（公告）日：2009-12-23

  Organische Leuchtdiode, enthaltend mindestens eine cyclische Phosphazenverbindung, eine Licht-emittierende Schicht aufgebaut aus mindestens einem Matrixmaterial und mindestens einem Emittermaterial, wobei das mindestens eine Matrixmaterial mindestens eine cyclische Phosphazenverbindung enthält, die Verwendung von cyclischen Phosphazenverbindungen in organischen Leuchtdioden sowie eine Vorrichtung ausgewählt aus der Gruppe bestehend aus stationären Bildschirmen, mobilen Bildschirmen und Beleuchtungseinheiten enthaltend mindestens eine erfindungsgemäße organische Leuchtdiode und ausgewählte cyclische Phosphazenverbindungen und Verfahren zu deren Herstellung.
• Phosphazene-Based Host Materials for the Use in Blue Phosphorescent Organic Light-Emitting Diodes
  作者：Pamela Schrögel、Matthias Hoping、Wolfgang Kowalsky、Arvid Hunze、Gerhard Wagenblast、Christian Lennartz、Peter Strohriegl

  DOI：10.1021/cm201940f

  日期：2011.11.22

  We present a series of low-molecular-weight materials based on cyclic phosphazenes for the use as host materials in blue phosphorescent organic light-emitting diodes. Substituted phenyl rings are attached to the central phosphazene ring either via phosphorus–oxygen bonds to yield phenoxy-substituted derivatives or via direct phosphorus–carbon bonds to yield phenyl-substituted derivatives. The phenoxy

  我们提出了一系列基于环状磷腈的低分子量材料，用作蓝色磷光有机发光二极管的主体材料。取代的苯环通过磷-氧键连接至中央磷腈环，以生成苯氧基取代的衍生物，或通过直接的磷-碳键连接以生成苯基取代的衍生物。苯氧基取代的环磷腈是通过苯氧基将六氯环三磷腈中的六个氯原子进行亲核取代而制备的，而苯基取代的环磷腈是在三当量取代的次膦酰胺的环缩合反应中形成的。与苯氧基取代相比，苯基取代导致材料具有更好的热性能。由于与磷腈核的非共轭键合，主体材料的三重态能量非常高，超过3 eV。在使用一种化合物作为主体的饱和蓝色磷光发射体Ir（dbfmi）的OLED器件中，峰值功率效率为7.6 lm W达到–1和5000 cd m –2的峰值亮度。
• Preparation and Properties of Novel Cyclophosphazenes Containing Cyanato Groups
  作者：Yuji Tada、Narimasa Moriya、Takashi Inoue、Atsuko Suzuki、Shigeto Koyama

  DOI：10.1080/10426507.2012.710677

  日期：2012.12.1

  Novel cyclotriphosphazenes containing cyanato group (PZCN) derivatives were synthesized by a substitution reaction of 4-hydroxyphenoxycyclotriphosphazenes and cyanogen bromide (BrCN) in the presence of triethylamine (TEA). The PZCNs were characterized by FT-IR, liquid chromatography-mass spectrometry (LC-MS), H-1 NMR, C-13 NMR, and P-31 NMR spectroscopy. Curing reactions of the PZCNs were evaluated by FT-IR spectroscopy, thermogravimetry/differential thermal analysis (TG/DTA), and differential scanning, calorimetry (DSC). The PZCNs exhibited an exothermic peak due to curing within the temperature range of 140-300 degrees C by DSC. The PZCNs were completely cured at 220 degrees C. The cured PZCNs exhibited high thermal stability up to 350 degrees C, a high char-forming capability, and electrical properties, such as dielectric constants (Dks) between 2.68 and 2.87, and dissipation factors (Dfs) between 0.008 and 0.013 at 1 MHz.