(methylpalladium[t-Bu2P(biphenyl-2-yl)]Cl)2 | 905857-96-7

• 英文名称: (methylpalladium[t-Bu2P(biphenyl-2-yl)]Cl)2
• CAS: 905857-96-7
• 化学式: C₄₂H₆₀Cl₂P₂Pd₂
• 分子量: 910.632
• InChiKey: IWXVTKZHNHSEPT-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  (methylpalladium[t-Bu2P(biphenyl-2-yl)]Cl)2 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以71%的产率得到methylpalladium[η2-t-Bu2P(biphenyl-2-yl)](triflate)
  参考文献：
  名称：

  Syntheses and characterizations of methylpalladium complexes bearing a biphenyl-based bulky phosphine ligand: Weak interactions suggested by NBO and QTAIM analyses

  摘要：

  A methylpalladium chloride complex bearing a biphenyl-based bulky phosphine ligand, 'Bu2P(biphenyl-2-yl) (1), namely [Pd(1)(Me)Cl](2) (=8), was synthesized by the reaction of (cod)Pd(Mc)Cl with 1. A following reaction of 8 with AgOTf gave the corresponding triflate complex, Pd(1)(Me)OTf (=9). These complexes were fully characterized by NMR spectroscopy and structurally characterized by X-ray crystallographic study. In the solid state of 8, biphenyl-based phosphine ligand 1 played a role of monodentate phosphine ligand with a possible weak eta(1)-coordination from the phenyl ring at T-position of 1. On the other hand, phosphine ligand 1 in 9 showed a bidentate coordination mode consist of sigma-donation of the phosphine and eta(2)-coordination of the phenyl ring at 1 '- and 2 '-positions. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) calculations also supported the existence of these weak interactions. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.001
• 作为产物：
  描述：

  2-(二叔丁基膦)联苯 、 chloromethyl(1,5-cyclooctadiene)palladium(II) 以 二氯甲烷 为溶剂， 以90%的产率得到(methylpalladium[t-Bu2P(biphenyl-2-yl)]Cl)2
  参考文献：
  名称：

  Syntheses and characterizations of methylpalladium complexes bearing a biphenyl-based bulky phosphine ligand: Weak interactions suggested by NBO and QTAIM analyses

  摘要：

  A methylpalladium chloride complex bearing a biphenyl-based bulky phosphine ligand, 'Bu2P(biphenyl-2-yl) (1), namely [Pd(1)(Me)Cl](2) (=8), was synthesized by the reaction of (cod)Pd(Mc)Cl with 1. A following reaction of 8 with AgOTf gave the corresponding triflate complex, Pd(1)(Me)OTf (=9). These complexes were fully characterized by NMR spectroscopy and structurally characterized by X-ray crystallographic study. In the solid state of 8, biphenyl-based phosphine ligand 1 played a role of monodentate phosphine ligand with a possible weak eta(1)-coordination from the phenyl ring at T-position of 1. On the other hand, phosphine ligand 1 in 9 showed a bidentate coordination mode consist of sigma-donation of the phosphine and eta(2)-coordination of the phenyl ring at 1 '- and 2 '-positions. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) calculations also supported the existence of these weak interactions. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.02.001