PdBr2(P,P'-1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane) | 725719-56-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: PdBr2(P,P'-1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane)
• 英文别名: 2-[bis[2-(dimethylamino)phenyl]phosphanylmethyl-[2-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline;dibromopalladium
• CAS: 725719-56-2；725719-51-7
• 化学式: C₃₃H₄₂Br₂N₄P₂Pd
• 分子量: 822.899
• InChiKey: AFQUQIBBDRUWLP-UHFFFAOYSA-L

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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  rac-Pd2Cl2(μ-N,P:P',N'-1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane) 、 sodium bromide 以 水 、 丙酮 为溶剂， 生成 PdBr2(P,P'-1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane) 、 PdBr2(P,P'-1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane)
  参考文献：
  名称：

  Metal−Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and Pd(I) Supported by a Bridging-N,P:N‘,P‘ Moiety of a Potentially Hexadentate Ligand

  摘要：

  Reactions of metal-metal bonded homobimetallic (Pd-2) and heterobimetallic (PtPd) complexes, supported by a P,P'-bridging-bis(P,N-chelating) coordination mode of the potentially hexadentate ligand 1,1-bis[di(o-N,N-dimethylanilinyl)phosphino]methane (dmapm), with CO, diethylacetylenedicarboxylate (DEAD), and thiols (FISH) in CH2Cl2 are described. At room temperature, rac-Pd2Cl2(mu-N,P:P',N'-dmapm) gives the stable complexes Pd2Cl2(mu-CO)(2)-(mu-P:P'-dmapm) and PdCl(eta(2)-DEAD)(mu-P:P', N-dmapm)PdCl (which is fluxional in solution), while rac-PtPdCl2(mu-N,P:P', N'-dmapm) disproportionates to PtCl2(P,P'-dmapm) and Pd metal, although at low temperature intermediate carbonyl species are detected in the CO reaction. The reactions with thiols in the presence of triflic acid (HOTf) generate rac-[MPdCl2(mu-SR)(mu-N,P:P',N'-dmapm)][OTf] and H-2 for both M = Pt and Pd. In CH2Cl2, PdX2(dmapm) species (X = halide or CN) exist as equilibrium mixtures of P,P' and P,N-ligated forms. For X = Cl, the P,P'-PN equilibrium is governed by DeltaHdegrees = -5.5 +/- 0.5 kJ mol(-1) and DeltaSdegrees = 10 +/- 1 J mol(-1) K-1, and the ring-strain energy within the P,P'-isomer is similar to32 kJ mol(-1); the equilibrium increasingly favors the P,N-form with X = CN much greater than I > Br > Cl. The solid-state structures of rac-[PtPdCl2(mu-SEt)(mu-NP:P',N'-dmapm)][OTf] and PdCl2(P,N-dmapm) are presented; the latter contains both bound and free N- and P-atoms of identical types in the same molecule and permits an assessment of sigma- and pi-bonding between these atoms and Pd.

  DOI：

  10.1021/ic040019t