2,2,4,4,6-pentanaphthoxy-6-chlorocyclotriphosphazene | 147624-97-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2,4,4,6-pentanaphthoxy-6-chlorocyclotriphosphazene
• 英文别名: 2-chloro-2,4,4,6,6-pentakis(naphthalene-2-yloxy)-1,3,5,2λ⁵,4λ⁵,6λ⁵-triazatriphosphinine；2,2,4,4,6-penta(β-naphthoxy)-6-monochlorocyclotriphosphazene；1,1,3,3,5-penta(2-naphthoxy)-5-chlorocyclotriphosphazatriene；2-Chloro-2,4,4,6,6-pentanaphthalen-2-yloxy-5-aza-1,3-diazanida-4lambda5-phospha-2,6-diphosphoniacyclohex-4-ene；2-chloro-2,4,4,6,6-pentanaphthalen-2-yloxy-5-aza-1,3-diazanida-4λ5-phospha-2,6-diphosphoniacyclohex-4-ene
• CAS: 147624-97-3
• 化学式: C₅₀H₃₅ClN₃O₅P₃
• 分子量: 886.219
• InChiKey: HYWVNCNEVNRPGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  62
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-苄氧基苯酚 、 2,2,4,4,6-pentanaphthoxy-6-chlorocyclotriphosphazene 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以61%的产率得到1,1,3,3,5-penta(2-naphthoxy)-5-[(4-benzyloxy)phenoxy]cyclotriphosphazatriene
  参考文献：
  名称：

  Synthesis, thermal and photophysical properties of naphthoxycyclotriphosphazenyl-substituted dendrimeric cyclic phosphazenes

  摘要：

  The synthesis and properties of naphthoxycyclotriphosphazenyl-substituted dendrimeric cyclic phosphazenes are reported. Compound 3, [N3P3(ONp)(5)OPhOH], is prepared by the sequential reactions of hexachlorocyclotriphosphazene with 2-naphthol and 4-benzyloxyphenol derivatives, as side groups. The dendrimeric compounds 5,6 and 7 have been obtained by the reactions of compound 3 with hexachlorocyclotriphosphazene, N3P3Cl6, octachlorocyclotetraphosphazene, N4P4Cl8, and bisphenol bridged cyclophosphazene, N6P6Cl10 (4), respectively. The newly synthesized compounds have been fully characterized by elemental analysis, ESI, MALDI-TOF mass spectrometry, FT-IR, H-1, C-13 and P-31 NMR spectroscopy. The thermal stability and fluorescence spectral properties of all these novel compounds are investiga ted. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.01.013
• 作为产物：
  描述：

  2-萘酚 在 六氯环三磷腈 、 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 2,2,4,4,6-pentanaphthoxy-6-chlorocyclotriphosphazene
  参考文献：
  名称：

  双酚桥联芳环磷腈的合成、光学和结构性质

  摘要：

  分两步合成了苯氧基和萘氧基取代的双酚桥联环状磷腈，并研究了它们的热、光物理和电化学性能。环状磷腈化合物的结构通过ESI-MS质谱法和1 H、 13 C和31 P NMR光谱测定。通过不同溶剂中的吸收光谱和荧光光谱研究了苯氧基和萘氧基取代的桥联环磷腈的光物理研究。还研究了目标化合物的热性能和电化学性能。此外，通过荧光光谱研究了溶液和固态中分子内相互作用引起的准分子发射，并使用DFT进行了详细的理论计算。

  DOI：

  10.3906/kim-1907-73

文献信息

• Zn(II) phthalocyanine-cyclotriphosphazene dyad: synthesis, characterization, photophysical, and photochemical properties
  作者：Kevser Harmandar、Tuğba Küçük、Devrim Atilla、Hanife İbişoğlu、Elif Şenkuytu、Şule Şahin Ün

  DOI：10.1080/10426507.2022.2046574

  日期：2022.8.3

  Abstract A novel asymmetric Zn (II) phthalocyanine (Pcs) (5) peripherally substituted with one cyclotriphosphazene ring and six tert-butylphenoxy groups was synthesized and fully characterized by elemental analysis, mass, 1H, 13C, 31P NMR, and FT-IR spectroscopies. Photophysical and photochemical properties of 5 (ground state absorption, fluorescence emission, fluorescence lifetime, fluorescence quantum

  摘要 合成了一种新型不对称 Zn (II) 酞菁 (Pcs) ( 5 )，其外围被一个环三磷腈环和六个叔丁基苯氧基取代，并通过元素分析、质量、1 H、13 C、31 P NMR 和 FT-充分表征红外光谱。在 DMSO 和 THF 中研究了5的光物理和光化学性质（基态吸收、荧光发射、荧光寿命、荧光量子产率和单线态氧产生）。化合物5的单线态氧量子产率DMSO 和 THF 中的含量分别为 0.62 和 0.52。这些单线态氧量子产率非常接近用作参考化合物的未取代的 Zn(II) Pcs 的单线态氧量子产率。这种新的 Zn(II) Pcs 可能是具有光物理和光化学特性的光动力疗法 (PDT) 的有希望的候选者。
• Synthesis, characterization and oxygen sensitivity of cyclophosphazene equipped-iridium (III) complexes
  作者：Merve Zeyrek Ongun、Murat Sahin、Tugce Akbal、Neslihan Avsar、Hayriye Karakas、Kadriye Ertekin、Devrim Atilla、Hanife İbişoğlu、Sevinc Zehra Topal

  DOI：10.1016/j.saa.2020.118490

  日期：2020.10

  In this work, synthesis, characterization and oxygen sensing abilities of the cyclophosphazene-free and phenyl and naphtoxy-substituted cyclophosphazene bearing iridium (III) complexes (Ir-I, Ir-II and Ir-III) were presented. The complexes were characterized by NMR, absorption and emission spectroscopies, luminescence lifetime and quantum yield measurements. The molecules were successfully embedded

  在这项工作中，无环磷腈的，带有苯基和萘氧基取代的环磷腈的铱（III）配合物（Ir-I，Ir-II和Ir-III的合成，表征和氧传感能力））。通过NMR，吸收和发射光谱，发光寿命和量子产率测量来表征该配合物。这些分子成功地嵌入到乙基纤维素基质中，通过静电纺丝技术制造了氧感应电纺垫。在氧气敏感性研究期间，氧气诱导的铱配合物的发光在600 nm附近被用作分析信号。他们表现出向三重态氧的蓝移，猝灭发射。萘氧基取代的衍生物表现出I 0 / I 100增强了2.70倍在相对信号变化方面与自由形式的比率。室温发光能力，高光稳定性，较大的斯托克位移值延伸至200 nm和高光谱响应，尤其是在0％至10％pO 2之间，使其成为有前途的候选氧探针。测试材料可以在实验室的环境空气中保存至少24个月。
• Fluorescence properties of fluorenylidene bridged cyclotriphosphazenes bearing aryloxy groups
  作者：Gönül Yenilmez Çiftçi、Elif Şenkuytu、Elif Saadet İncir、Mahmut Durmuş、Fatma Yuksel

  DOI：10.1016/j.poly.2015.10.047

  日期：2015.12

  The synthesis and characterization of the first series of aryloxy full-substituted fluorenylidene open chain and bridged cyclotriphosphazene derivatives (13-18) are reported in this study. The synthetic route utilized includes the reaction of penta-substituted cyclotriphosphazenes (5, 7, 9) with 4,4'-(9-fluorenylidene)diphenol (FDP) (11) and 4,4'-(9-fluorenylidene)dianiline (FDA) (12) to give bridged compounds (13, 15-17) and open chain compounds (14 and 18). The structural investigations of the compounds were verified by elemental analyses, mass spectrometry, UV-Vis, FT-IR, H-1 and P-31 NMR techniques, and X-ray crystallography (for 13 and 18). The fluorescence behavior of the studied cyclotriphosphazene derivatives were also examined in THF solution. Compound 16 showed a high emission among the studied compounds to investigate its metal sensing properties. This compound showed high selectivity for copper (Cu2+) and iron (Fe2+/Fe3+) ions in solution. (C) 2015 Elsevier Ltd. All rights reserved.
• Synthesis, thermal and photophysical properties of naphthoxycyclotriphosphazenyl-substituted dendrimeric cyclic phosphazenes
  作者：Bünyemin Çoşut、Serkan Yeşilot

  DOI：10.1016/j.poly.2012.01.013

  日期：2012.3

  The synthesis and properties of naphthoxycyclotriphosphazenyl-substituted dendrimeric cyclic phosphazenes are reported. Compound 3, [N3P3(ONp)(5)OPhOH], is prepared by the sequential reactions of hexachlorocyclotriphosphazene with 2-naphthol and 4-benzyloxyphenol derivatives, as side groups. The dendrimeric compounds 5,6 and 7 have been obtained by the reactions of compound 3 with hexachlorocyclotriphosphazene, N3P3Cl6, octachlorocyclotetraphosphazene, N4P4Cl8, and bisphenol bridged cyclophosphazene, N6P6Cl10 (4), respectively. The newly synthesized compounds have been fully characterized by elemental analysis, ESI, MALDI-TOF mass spectrometry, FT-IR, H-1, C-13 and P-31 NMR spectroscopy. The thermal stability and fluorescence spectral properties of all these novel compounds are investiga ted. (C) 2012 Elsevier Ltd. All rights reserved.
• Synthesis, optical, and structural properties of bisphenol-bridged aromatic cyclic phosphazenes
  作者：Bünyemin ÇOŞUT、Burcu TOPALOĞLU AKSOY、Süreyya Oğuz TÜMAY、Ahmet ŞENOCAK、Serkan YEŞİLOT

  DOI：10.3906/kim-1907-73

  日期：——

  Phenoxy- and naphthoxy-substituted bisphenol-bridged cyclic phosphazenes were synthesized in 2 steps and their thermal, photophysical, and electrochemical properties were investigated. The structures of the cyclic phosphazene compounds were determined by ESI-MS mass spectrometry and 1 H, 13 C, and 31 P NMR spectroscopies. The photophysical studies of phenoxy- and naphthoxy-substituted bridged cyclophosphazenes

  分两步合成了苯氧基和萘氧基取代的双酚桥联环状磷腈，并研究了它们的热、光物理和电化学性能。环状磷腈化合物的结构通过ESI-MS质谱法和1 H、 13 C和31 P NMR光谱测定。通过不同溶剂中的吸收光谱和荧光光谱研究了苯氧基和萘氧基取代的桥联环磷腈的光物理研究。还研究了目标化合物的热性能和电化学性能。此外，通过荧光光谱研究了溶液和固态中分子内相互作用引起的准分子发射，并使用DFT进行了详细的理论计算。