hexakis<1-(3,5-dimethylpyrazolyl)>cyclotriphosphazene | 74299-68-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: hexakis<1-(3,5-dimethylpyrazolyl)>cyclotriphosphazene
• 英文别名: 2,2,4,4,6,6-hexakis(3,5-dimethylpyrazolyl)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene；hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene；hexa(3,5-dimethylpyrazolyl)cyclotriphosphazene；2,2,4,4,6,6-Hexakis(3,5-dimethylpyrazol-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene；2,2,4,4,6,6-hexakis(3,5-dimethylpyrazol-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• CAS: 74299-68-6
• 化学式: C₃₀H₄₂N₁₅P₃
• 分子量: 705.685
• InChiKey: ORSFOSIHOWVKNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  144
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  hexakis<1-(3,5-dimethylpyrazolyl)>cyclotriphosphazene 在 2,2'-bipyridine 、 dichloromethane 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and spectroscopy of mono- and di-nuclear copper complexes of a pyrazolylcyclotriphosphazene. Crystal structure of an unusual cyclotriphosphazene-bridged dicopper complex

  摘要：

  The mononuclear copper(II) complexes [CuL(ClO4)(H2O)2]ClO4 and [CuL(bipy)(ClO4)]ClO4 [L = 2,2,4,4,6,6-hexakis(3,5-dimethylpyrazolyl)-2lambda5,4lambda5,6lambda5-cyclotriphosphaza-1,3,5-triene] have been prepared and characterized by optical, EPR and IR spectral data. The crystal structure of an unusual cyclophosphazene-bridged dicopper complex [H2dmpz][(CuCl2)2{N3P3O(dmpz)5}] (Hdmpz = 3,5-dimethylpyrazole) has been determined: space group P1bAR, a = 11.640(3), b = 14.497(14). c = 14.775(3), alpha = 77.62(6), beta = 82.10(2), gamma = 74.88(6)degrees, and Z = 2. The geometry around both copper atoms is a distorted trigonal bipyramidal with the axial positions occupied by pyrazolyl pyridinic nitrogens and the equatorial positions by one cyclophosphazene ring nitrogen and two chlorine atoms.

  DOI：

  10.1039/dt9930002589
• 作为产物：
  描述：

  3,5-二甲基吡唑 在 六氯环三磷腈 、 三乙胺 作用下， 以 苯 为溶剂， 反应 24.0h， 以91%的产率得到hexakis<1-(3,5-dimethylpyrazolyl)>cyclotriphosphazene
  参考文献：
  名称：

  1-Pyrazolyl phosphazenes and their complexes with palladium(II) chloride and platinum(II) chloride

  摘要：

  氯代磷氮烷（NPCl₂)_3–6和苯基氯代磷氮烷 gem-N₃P₃Ph₄Cl₂以及 gem-N₃P₃Ph₂Cl₄ 与吡唑、3-甲基吡唑和3,5-二甲基吡唑反应，形成(NPpz₂)_3–6、[NP(Mepz)₂]_3–5、[NP(Me₂pz)₂]₃、₄、N₃P₃Ph₄(Mepz)₂、N₃P₃Ph₄(Me₂pz)₂和N₃P₃Ph₂(Me₂pz)₄。红外和核磁共振光谱显示，吡唑基团是磷氮烷环上的电子吸引取代基，类似于卤素而不是氨基。吡唑基团也通过其吡啶氮原子作为供体，既在分子内部，也在形成复合物 gem-N₃P₃Ph₄(Me₂pz)₂•PdCl₂、gem-N₃P₃Ph₂(Me₂pz)₄•PdCl₂、N₃P₃(Me₂pz)₆•2PdCl₂、N₃P₃(Me₂pz)₆•2PtCl₂和N₃P₃(Me₂pz)₆•3PdCl₂的形成中发挥作用。未检测到金属与环中的氮原子之间的键合。

  DOI：

  10.1139/v82-076

文献信息

• First lanthanide complexes and unusual coordination behavior of hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene
  作者：Bo Hwan Koo、Younghun Byun、Eunkee Hong、Youngjo Kim

  DOI：10.1039/a801988f

  日期：——

  Reaction of hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene (L) with LnCl3 (Ln = La, Ce, Nd, Sm) affords new mononuclear lanthanophosphazenes [L·LnCl3] with hendecahedral coordination polyhedron in which the ligand L employs an unprecedented κ5N binding core consisting of one cyclotriphosphazene ring nitrogen atom and four pyridinic nitrogen atoms of two sets of geminal pyrazolyl groups.

  六(3,5-二甲基吡唑基)环三膦腈(L)与LnCl3 (Ln = La, Ce, Nd, Sm)的反应产生了新的单核镧系膦腈化合物[L·LnCl3]，其中配体L采用了一种前所未有的κ5N结合核心，该核心包括一个环三膦腈环的氮原子和两组双生吡唑基团中的四个吡啶型氮原子，形成了一个十一面体配位多面体。
• First rhenium complexes based on cyclotriphosphazene scaffolds with exocyclic pyrazolyl substituentsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b203254f/
  作者：Michael Harmjanz、Brian L. Scott、Carol J. Burns

  DOI：10.1039/b203254f

  日期：2002.6.19

  Functionalized cyclotriphosphazenes with two or six pyrazolyl substituents have been employed for the preparation of rhenium carbonyl complexes; depending on the nature of the ligand system rhenium complexes with either gem-N2, gem-N3 or non-gem-N3 coordination modes can be prepared.

  具有两个或六个吡唑基取代基的官能化环三磷腈已被用于制备羰基铼配合物；根据配体系统的性质，可以制备具有gem-N2、gem-N3或非gem-N3配位模式的铼配合物。
• Byun, Younghun; Min, Dongwon; Do, Junghwan, Inorganic Chemistry, 1996, vol. 35, # 13, p. 3981 - 3989
  作者：Byun, Younghun、Min, Dongwon、Do, Junghwan、Yun, Hoseop、Do, Youngkyu

  DOI：——

  日期：——
• GALLICANO, K. D.;PADDOCK, N. L., CAN. J. CHEM., 1982, 60, N 4, 521-528
  作者：GALLICANO, K. D.、PADDOCK, N. L.

  DOI：——

  日期：——
• Justin Thomas; Chandrasekhar; Pal, Parthasarathy, Inorganic Chemistry, 1993, vol. 32, # 5, p. 606 - 611
  作者：Justin Thomas、Chandrasekhar、Pal, Parthasarathy、Scott, Syrona R.、Hallford, Randal、Cordes

  DOI：——

  日期：——