2,2,4,4-Tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2λ⁵,4λ⁵,6λ⁵-cyclotriphosphaza-1,3,5-triene | 74286-01-4

• 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: 2,2,4,4-Tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2λ⁵,4λ⁵,6λ⁵-cyclotriphosphaza-1,3,5-triene
• 英文别名: gem-diphenyltetrakis<1-(3,5-dimethylpyrazolyl)>cyclotriphosphazene；2,2-diphenyl-4,4,6,6,-tetrakis(3,5-dimethyl-1-pyrazolyl)cyclotriphosphazene；2,2,4,4-Tetrakis(3,5-dimethylpyrazol-1-yl)-6,6-diphenyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene；2,2,4,4-tetrakis(3,5-dimethylpyrazol-1-yl)-6,6-diphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• CAS: 74286-01-4
• 化学式: C₃₂H₃₈N₁₁P₃
• 分子量: 669.649
• InChiKey: PQJAZOHTGIUXHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2,4,4-Tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2λ⁵,4λ⁵,6λ⁵-cyclotriphosphaza-1,3,5-triene 、 copper(ll) bromide 以 二氯甲烷 为溶剂， 以90%的产率得到dibromocopper;2,2,4,4-tetrakis(3,5-dimethylpyrazol-1-yl)-6,6-diphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
  参考文献：
  名称：

  Five-coordinate copper(II) complexes of GEM-N3P3Ph2(dmpz)4

  摘要：

  2,2-Diphenyl-4,4,6,6-tetrakis(3,5-dimethyl-1-pyrazolyl)cyclotriphosphazene, N(3)P(3)Ph(2)(dmpz)(4) (2), forms mononuclear five-coordinate complexes N(3)P(3)Ph(2)(dmpz)(4) . CuX(2) [X = Cl (3) and Br (4)] with copper(II) halides. The structure of dichloromethane solvate of the chloro derivative, N(3)P(3)Ph(2)(dmpz)(4) . CuCl2, has been determined by single crystal X-ray diffraction. The metal exists in a distorted trigonal bipyramidal geometry and the ligand 2 acts as an N-3 capping tridentate ligand with two non-geminal pyrazolyl pyridine and one cyclotriphosphazene ring nitrogen and two chloride ions complete the trigonal bipyramidal environment. The spectroscopic (IR, UV-vis and EPR) characterization of the complexes is also reported.

  DOI：

  10.1016/0277-5387(94)00363-j
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 2,2,4,4-四氯-6,6-二苯基环三磷腈 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 192.0h， 以90%的产率得到2,2,4,4-Tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2λ⁵,4λ⁵,6λ⁵-cyclotriphosphaza-1,3,5-triene
  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

• Synthesis and characterization of mononuclear nickel(<scp>II</scp>) and cobalt(<scp>II</scp>) complexes of 2,2,4,4-tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2λ⁵,4λ⁵,6λ⁵-cyclotriphosphaza-1,3,5-triene L: crystal structure of [NiLCl₂]
  作者：K. Rajapandian Justin Thomas、Paulmony Tharmaraj、Vadapalli Chandrasekhar、Edward R. T. Tiekink

  DOI：10.1039/dt9940001301

  日期：——

  Three complexes [NiLCl2] 2a, [NiLBr2] 2b and [CoLCl2] 2c, where L is the potentially multidentate ligand 2,2,4,4-tetrakis(3,5-dimethylpyrazolyl)-6,6-diphenyl-2lambda5,4lambda5,6lambda5-cyclotriphosphaza-1,3,5-triene, have been prepared and characterized spectroscopically (IR, H-1 and P-31 NMR) and in the case of 2a, crystallographically. The Ni(II) atom in 2a has been shown to exist in a distorted trigonal-bipyramidal geometry in which the halide atoms and a ring nitrogen atom define the equatorial plane; the axial positions are occupied by two nitrogen atoms derived from two pyrazolyl rings. Crystals of 2a are monoclinic with space group C2/c and unit cell dimensions: a = 38.190(8), b = 9.225(3), c = 21.830(4) angstrom, beta = 108.29(2)-degrees and Z = 8. The structure was refined to final R = 0.045 for 4414 observed data.
• Platinum(II) and palladium(II) complexes of tetrakis(pyrazolyl)cyclotriphosphazenes
  作者：K.R. Justin Thomas、V. Chandrasekhar、Piero Zanello、Franco Laschi

  DOI：10.1016/s0277-5387(96)00385-3

  日期：1997.1
• 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：——
• Five-coordinate copper(II) complexes of GEM-N3P3Ph2(dmpz)4
  作者：K.R.Justin Thomas、P. Tharmaraj、V. Chandrasekhar、Syrona R. Scott、A. Wallace Cordes

  DOI：10.1016/0277-5387(94)00363-j

  日期：1995.4

  2,2-Diphenyl-4,4,6,6-tetrakis(3,5-dimethyl-1-pyrazolyl)cyclotriphosphazene, N(3)P(3)Ph(2)(dmpz)(4) (2), forms mononuclear five-coordinate complexes N(3)P(3)Ph(2)(dmpz)(4) . CuX(2) [X = Cl (3) and Br (4)] with copper(II) halides. The structure of dichloromethane solvate of the chloro derivative, N(3)P(3)Ph(2)(dmpz)(4) . CuCl2, has been determined by single crystal X-ray diffraction. The metal exists in a distorted trigonal bipyramidal geometry and the ligand 2 acts as an N-3 capping tridentate ligand with two non-geminal pyrazolyl pyridine and one cyclotriphosphazene ring nitrogen and two chloride ions complete the trigonal bipyramidal environment. The spectroscopic (IR, UV-vis and EPR) characterization of the complexes is also reported.
• 1-Pyrazolyl phosphazenes and their complexes with palladium(II) chloride and platinum(II) chloride
  作者：Keith D. Gallicano、Norman L. Paddock

  DOI：10.1139/v82-076

  日期：1982.2.15

  The chlorophosphazenes (NPCl₂)_3–6 and the phenylchlorophosphazenes gem-N₃P₃Ph₄Cl₂ and gem-N₃P₃Ph₂Cl₄ react with pyrazole, 3-methylpyrazole, and 3,5-dimethylpyrazole to give (NPpz₂)_3–6, [NP(Mepz)₂]_3–5, [NP(Me₂pz)₂]₃,₄, N₃P₃Ph₄(Mepz)₂, N₃P₃Ph₄(Me₂pz)₂, and N₃P₃Ph₂(Me₂pz)₄. Infrared and nmr spectroscopy show the pyrazolyl group to be an electron-withdrawing substituent on the phosphazene ring, resembling a halogen rather than an amino-group. The pyrazolyl group also acts as a donor through its pyridinic nitrogen atom, both intramolecularly and in the formation of the complexes gem-N₃P₃Ph₄(Me₂pz)₂•PdCl₂, gem-N₃P₃Ph₂(Me₂pz)₄•PdCl₂, N₃P₃(Me₂pz)₆•2PdCl₂, N₃P₃(Me₂pz)₆•2PtCl₂, and N₃P₃(Me₂pz)₆•3PdCl₂. No bonding between the metal and a nitrtogen atom in the ring was detected.

  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。