[Ir(tris(ortho-anisyl)phosphine)(pyridine)(1,5-cyclo-octadiene)]PF6 | 128278-87-5

• 英文名称: [Ir(tris(ortho-anisyl)phosphine)(pyridine)(1,5-cyclo-octadiene)]PF6
• 英文别名: [Ir(PAn3)(py)(COD)]PF6
• CAS: 128278-87-5
• 化学式: C₃₄H₃₈IrNO₃P*F₆P
• 分子量: 876.839
• InChiKey: JFDWTXLNQWWTKJ-KJWGIZLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  吡啶 、 ammonium hexafluorophosphate 、 IrCl(tris(ortho-anisyl)phospine)(1,5-cyclo-octadiene) 以 甲醇 为溶剂， 以88%的产率得到[Ir(tris(ortho-anisyl)phosphine)(pyridine)(1,5-cyclo-octadiene)]PF6
  参考文献：
  名称：

  Synthesis and characterization of new rhodium and iridium complexes with trianisylphosphine, PAn3, and evaluation of their catalytic behavior in the homogeneous hydrogenation of cinnamaldehyde

  摘要：

  A new family of rhodium and iridium compounds with the bulky tris(ortho-methoxyphenyl) phosphine (PAn(3)) was synthesized and characterized by NMR methods. The X-ray crystal structures of RhCl(PAn(3))(COD)(1) and Ir[(PBz(3))(PAn(3))COD)]PF6 (4) have been determined. A stabilizing agostic interaction has been crystallographically observed in both compounds, due to the steric hindrance of the ortho-substituted phosphine ligand and its presence has been associated to the fluxional behavior shown by the complexes on the NMR timescale in solution. Iridium complexes containing PBz(3) and/or PAn(3) have been evaluated as catalyst precursors for the hydrogenation of trans-cinnamaldehyde (CNA), and their activities have also been compared to those of other iridium complexes containing bulky phosphine ligands, such as PTol(3) (tris-ortho-tolyl-phosphine). The catalytic experiments show that irrespectively of the phosphine combination, all of the evaluated catalysts prevalently hydrogenate the C=C moiety. However, the product selectivity can be tuned by changing either the substrate/catalyst ratio or the phosphine ligand at the metal center. The catalyst with PAn(3) proved to be more efficient and also gave higher yields of the enol product, indicating that stereoelectronic effects are responsible for the changes in selectivity. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2008.11.013