六氟磷酸双（吡啶）（1,5-环辛二烯）铱（I） | 56678-60-5

• 中文名称: 六氟磷酸双（吡啶）（1,5-环辛二烯）铱（I）
• 英文名称: (1,5-cyclooctadiene)bis(pyridine)iridium(I) hexafluorophosphate
• 英文别名: [Ir(1,5-cyclooctadiene)(pyridine)2]PF6；{Ir(cod)(py)2}{PF6}；[(cod)Ir(py)₂]PF₆
• CAS: 56678-60-5
• 化学式: C₁₈H₂₂IrN₂*F₆P
• 分子量: 603.57
• InChiKey: BGWAJQGKQSDBHK-XURAHWFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  六氟磷酸双（吡啶）（1,5-环辛二烯）铱（I） 、 1,3-双(2,4,6-三甲基苯基)氯化咪唑 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 68.0h， 生成
  参考文献：
  名称：

  Isotopic Labelling of Functionalised Arenes Catalysed by Iridium(I) Species of the [(cod)Ir(NHC)(py)]PF6 Complex Class

  摘要：

  Iridium(I) complexes of the type [(cod)Ir(NHC)(Py)]PF6 have been exposed as efficient catalysts in the area of hydrogen-isotope exchange. More specifically, by an ortho-directed C-H activation process, high levels of deuterium incorporation have been achieved using low levels of catalyst over a range of functionalised aromatic compounds. Additionally, the developed protocol has been extended to include a selected pharmacological target, where chemoselective labelling is observed within such a multifunctional substrate.

  DOI：

  10.1055/s-0035-1560518

文献信息

• Iridium Complexes of Orthometalated Triaryl Phosphites:  Synthesis, Structure, Reactivity, and Use as Imine Hydrogenation Catalysts
  作者：Robin B. Bedford、Sergio Castillòn、Penny A. Chaloner、Carmen Claver、Elena Fernandez、Peter B. Hitchcock、Aurora Ruiz

  DOI：10.1021/om960239h

  日期：1996.9.17

  Di-orthometalated iridium complexes of triaryl phosphites have been prepared and characterized. The synthesis of the triphenyl phosphite derivative [IrH(cod)P(OC6H4)2(OC6H5)}], 3, requires a circuitous route by treatment of [IrCl(cod)P(OPh)3}] with methyllithium and then methanol. However, with the hindered phosphites P(OAr)3 (Ar = C6H4-2-tBu or C6H3-2,4-tBu2) the di-orthometalated species 5a,b are

  已制备并表征了亚磷酸三芳基酯的二原金属铱配合物。亚磷酸三苯酯衍生物[IrH（cod）P（OC 6 H 4）2（OC 6 H 5）}] 3的合成需要通过[IrCl（cod）P（OPh）3 }]先用甲基锂，再用甲醇。但是，受阻亚磷酸酯P（OAr）3（Ar = C 6 H 4 -2- tBu或C 6 H 3 -2,4- t通过使亚磷酸酯与[Ir（μ-OMe）（cod）} 2 ]或[Ir（cod）（py）2 ] [PF 6 ]反应，可以容易地获得Bu 2）的双正金属化物质5a，b。这些反应的机理已被研究并且是不同的。这两个5A和5B是亚胺加氢催化剂。配合物[IrH 5 P（OAr）3 } 2 ]已从氢化反应中分离出来并独立合成。
• Anomalous reactivity of triphenylarsine and triarylphosphines of low basicity with [Ir(cod)(py)2][PF6] and use of the complexes as precatalysts for imine hydrogenation
  作者：Robin B. Bedford、Penny A. Chaloner、Shaliza Z. Dewa、Gregorio López、Peter B. Hitchock、Francisca Momblona、Jose L. Serrano

  DOI：10.1016/s0022-328x(96)06627-2

  日期：1997.1

  Reaction of [Ir(cod)(py)2][PF6] with PPh3 or P(C6H4-4-F)3 gives the bis(phosphine) derivative [Ir(cod)L2][PF6], but with the poorly basic phosphine P(C6H4-4-CF3)3 or AsPh3 the mixed ligand complexes [Ir(cod)L(py)][PF6] are obtained. The synthesis of [Ir(AsPh3)(cod)(PPh3)][CF3SO3] is described, and the structures of this and of [Ir(AsPh3)(cod)(py)][PF6] determined by X-ray crystallography. The use of

  [Ir（cod）（py）2 ] [PF 6 ]与PPh 3或P（C 6 H 4 -4-F）3反应得到双（膦）衍生物[Ir（cod）L 2 ] [PF 6 ]，但是使用碱性较差的膦P（C 6 H 4 -4-CF 3）3或AsPh 3时，会得到混合的配体配合物[Ir（cod）L（py）] [PF 6 ]。描述了[Ir（AsPh 3）（cod）（PPh 3）] [CF 3 SO 3 ]的合成，以及该化合物和[Ir（AsPh 3）（cod）（py）] [PF的结构图6由X射线晶体学测定。描述了将某些配合物用作亚胺氢化的催化剂。
• Group 9 metal 1,1′-bis(phosphino)ferrocene complexes: synthesis, structures, solution conformation and unusual reactivity
  作者：Anthony G. Avent、Robin B. Bedford、Penny A. Chaloner、Shaliza Z. Dewa、Peter B. Hitchcock

  DOI：10.1039/dt9960004633

  日期：——

  respectively. The ligand disoppf also induces considerable distortion away from square-planar geometry in the complex [Rh(nbd)(disoppf)][BF4]4nbd = norbornadiene (bicyclo[2.2.1]hepta-2,5-diene)}, as found in a crystal structure determination, which may account for the unusual lability of the chelating diphosphine. This is demonstrated by its reactions with Ph2P(CH2)nPPh2(n= 1 or 2) both of which give

  [Ir（cod）（L–L）] + 3 [cod =环辛基-1,5-二烯，L–L = 1-（二异丙基膦基）-1'-（二苯基膦基）二茂铁]的晶体结构可能与L–L = 1,1'-双（二苯基膦基）二茂铁（dppf）1和1,1'-双（二异丙基膦基）二茂铁（disppf），2的类似络合物的那些，所有络合物都易于从[Ir （鳕鱼）（py）2 ] +（py =吡啶）。通过改变二茂铁的扭曲（随膦的立体分布的增加而减小）以及铱原子上的几何形状从正方形平面向四面体变形，可以在所有三个配合物中维持最佳的二膦咬合角约99°。二茂铁部分的扭曲在所有三个配合物中诱导铱原子上的手性，并且立体异构体的互换可以通过可变温度的1 H NMR光谱进行。在此过程中，使用Eyring方程得出的近似值ΔG ‡为36.1±0.2、39.3±0.2和34.3±0.2 kJ mol –1（对于1–3）分别。配位体disoppf还会在复合物[Rh（nbd）（disoppf）]
• El-Amouri, H.; Bouayad, A., Polyhedron, 1989, vol. 8, p. 1945 - 1948
  作者：El-Amouri, H.、Bouayad, A.

  DOI：——

  日期：——
• Abbassioun, M. S.; Chaloner, P. A.; Hitchcock, P. B., Acta Crystallographica, Section C: Crystal Structure Communications, 1991, vol. 47, p. 437 - 438
  作者：Abbassioun, M. S.、Chaloner, P. A.、Hitchcock, P. B.、Koziorowski, J. M.

  DOI：——

  日期：——