2,2,4,4,6,6-hexakis(4-benzyloxyphenoxy)cyclotriphosphazatriene

• 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-benzyloxyphenoxy)cyclotriphosphazatriene
• 英文别名: Hexakis(4-benzyloxyphenoxy)cyclotriphosphazene；2,2,4,4,6,6-hexakis(4-phenylmethoxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• 化学式: C₇₈H₆₆N₃O₁₂P₃
• 分子量: 1330.32
• InChiKey: HOEOEKQBEPKEGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.5
• 重原子数：
  96
• 可旋转键数：
  30
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2,2,4,4,6,6-hexakis(4-benzyloxyphenoxy)cyclotriphosphazatriene 在 palladium(II) hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 环己烯 为溶剂， 生成 2,2,4,4,6,6-hexakis(4-hydroxyphenoxy)cyclotriphosphazatriene
  参考文献：
  名称：

  Synthesis and fluorescence properties of hexameric and octameric subphthalocyanines based cyclic phosphazenes

  摘要：

  Hexameric and octameric subphthalocyanines bearing cyclophosphazene derivatives were synthesized by threating hexa(p-hydroxyphenoxy)cyclotriphosphazene and octa(p-hydroxyphenoxy)cyclotetraphosphazene with excess of boron subphthalocyanine chloride in toluene. The hexameric and octameric subphthalocyanines bearing cyclophosphazene derivatives were fully characterized by elemental analysis, ESI and MALDI mass spectrometry, FT-IR, H-1, C-13 and P-31 NMR spectroscopy. The photophysical properties of title compounds were investigated by means of UV/Vis absorption and fluorescence spectroscopies in dilute 1,4-dioxane solutions. The fluorescence quenching behavior of these complexes by 1,4-benzoquinone were also reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.03.028
• 作为产物：
  描述：

  4-苄氧基苯酚 在 六氯环三磷腈 、 C₃CsO₃ 作用下， 以 四氢呋喃 为溶剂， 生成 2,2,4,4,6,6-hexakis(4-benzyloxyphenoxy)cyclotriphosphazatriene
  参考文献：
  名称：

  Synthesis and fluorescence properties of hexameric and octameric subphthalocyanines based cyclic phosphazenes

  摘要：

  Hexameric and octameric subphthalocyanines bearing cyclophosphazene derivatives were synthesized by threating hexa(p-hydroxyphenoxy)cyclotriphosphazene and octa(p-hydroxyphenoxy)cyclotetraphosphazene with excess of boron subphthalocyanine chloride in toluene. The hexameric and octameric subphthalocyanines bearing cyclophosphazene derivatives were fully characterized by elemental analysis, ESI and MALDI mass spectrometry, FT-IR, H-1, C-13 and P-31 NMR spectroscopy. The photophysical properties of title compounds were investigated by means of UV/Vis absorption and fluorescence spectroscopies in dilute 1,4-dioxane solutions. The fluorescence quenching behavior of these complexes by 1,4-benzoquinone were also reported. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.03.028
• 作为试剂：
  描述：

  六氯环三磷腈 、 sodium;hydride 、 4-苄氧基苯酚 、 氢气 在 四丁基溴化铵 水 、 甲醇 、 2,2,4,4,6,6-hexakis(4-benzyloxyphenoxy)cyclotriphosphazatriene 、 tetrahydrofuran methanol 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 48.0h， 生成 2,2,4,4,6,6-hexakis(4-benzyloxyphenoxy)cyclotriphosphazatriene
  参考文献：
  名称：

  Phosphorylation of phosphazenes

  摘要：

  在芳氧基磷氮化物的侧基中同时包含磷酸盐和膦酸盐单元的聚合物和环三聚体的合成被揭示。磷酸化的环三聚体被用作聚苯乙烯的阻燃添加剂。

  公开号：

  US06093758A1

文献信息

• Small-molecule model phosphazenes with para-substituted phenoxy side groups: synthesis, crystal structures and comparisons with corresponding high polymers
  作者：Harry R. Allcock、Saman Al-Shali、Dennis C. Ngo、Karyn B. Visscher、Masood Parvez

  DOI：10.1039/dt9960003549

  日期：——

  A series of new cyclic phosphazenes and a linear short-chain phosphazene have been synthesized as models for the preparation of the corresponding phosphazene high polymers. Several of the high polymers were also prepared. The small molecule compounds were characterized by a combination of 31P NMR, mass spectrometry and elemental analysis. The crystal and molecular structures of N3P3(OC6H4R-4)6(R =

  合成了一系列新型环状磷腈和线性短链磷腈作为制备相应磷腈高聚物的模型。还制备了几种高聚物。通过31 P NMR，质谱和元素分析相结合来表征小分子化合物。N 3 P 3（OC 6 H 4 R-4）6（R = CH 3，OH，OPh或OCH 2 Ph），N 4 P 4（OC 6 H 4 OPh-4）8和OP（OC 6高4通过单晶X射线衍射技术研究了Bu t -4）2 NP（OC 6 H 4 Bu t -4）。高的聚合物，[NP（OC 6 H ^ 4 R-4）2 ] Ñ，（R = OPH，OCH 2 PH或卜吨），[NP（OC 6 H ^ 4器CPh 3 -4）1.5氯0.5 ] Ñ，和[NP（OCH 2 C 6 H 4 OCH 2 Ph-4）2 ] n还制备了它们，并通过多种技术（包括1 H和31 P NMR光谱，元素分析和差示扫描量热法）确认了它们的结构。
• Columnar Mesomorphic Organizations in Cyclotriphosphazenes
  作者：Joaquín Barberá、Manuel Bardají、Josefina Jiménez、Antonio Laguna、M. Pilar Martínez、Luis Oriol、José Luis Serrano、Irene Zaragozano

  DOI：10.1021/ja051042w

  日期：2005.6.1

  A synthetic strategy has been developed to prepare cyclotriphosphazenes that bear polycatenar aromatic esters as promesogenic units linked to phosphorus atoms. The microsegregation of the rigid and flexible parts of the system and the space-filling properties are the driving forces that determine the kind of mesomorphism exhibited by the organocyclotriphosphazenes. Mesogenic units that contain only one terminal alkyl chain give rise to calamitic mesomorphism, since the molecules are arranged to give a cylindrical superstructure with the aromatic promesogenic cores elongated in a manner approximately perpendicular to the cyclotriphosphazene ring. On the other hand, mesogenic units that contain three long terminal chains exhibit columnar mesophases. In this case, a discotic structure consisting of promesogenic cores arranged approximately parallel to the cyclotriphosphazene ring can explain the columnar organization. The X-ray diffraction patterns corresponding to the Col(h) mesophase of the cyclotriphosphazene with dodecyloxy chains (8) indicate the presence of helical ordering, which was confirmed for a homologous compound bearing stereogenic centers on two of the terminal chains (11), All of the synthesized phosphazenes show a high thermal stability.
• The novel anthracene decorated dendrimeric cyclophosphazenes for highly selective sensing of 2,4,6-trinitrotoluene (TNT)
  作者：Emrah Özcan、Süreyya Oğuz Tümay、Gürkan Keşan、Serkan Yeşilot、Bünyemin Çoşut

  DOI：10.1016/j.saa.2019.05.020

  日期：2019.9

  Novel fluorescent anthracene-decorated cyclotri- and cyclotetraphosphazenes (5 and 6) are designed and synthesized, and their chemosensor behaviors against nitroaromatic compounds are examined by UV/Vis and fluorescence spectroscopies for addressing the sensors with cyclophosphazenes for 2,4,6-trinitrotoluene detection. The fluorescence intensities of (5 and 6) are found to be selectively quenched by only 2,4,6-trinitrotoluene through the non-covalent pi center dot center dot center dot pi stacking interactions between anthracene-substituted cyclophosphazenes and 2,4,6-trinitrotoluene. In addition, cyclic voltammetry and theoretical calculation of novel sensor systems are studied. The proposed fluorescent sensor systems are critical in terms of practical detection of 2,4,6-trinitrotoluene. (C) 2019 Elsevier B.V. All rights reserved.