[Pd(η3-2-CH3-C3H4)(2-pyridyldiphenylphosphine)2](BF4) | 947383-37-1

• 英文名称: [Pd(η3-2-CH3-C3H4)(2-pyridyldiphenylphosphine)2](BF4)
• 英文别名: Pd(η3-2-CH3C3H4)(PPh2py)2(BF4)
• CAS: 947383-37-1
• 化学式: BF₄*C₃₈H₃₅N₂P₂Pd
• 分子量: 774.881
• InChiKey: LNGJZVPNAFYTRO-UHFFFAOYSA-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

• 作为反应物：
  描述：

  [Pd(η3-2-CH3-C3H4)(2-pyridyldiphenylphosphine)2](BF4) 、 反丁烯二腈 在 二乙胺 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到[Pd(η2-fumaronitrile)(2-pyridyldiphenylphosphine)2]
  参考文献：
  名称：

  Protonation of palladium(II)-allyl and palladium(0)-olefin complexes containing 2-pyridyldiphenylphosphine

  摘要：

  The pendant nitrogen atom of the Ph2PPy ligand in the Pd(II)-allyl complexes [PdCl(eta(3)-2-CH3C3H4)( Ph2PPy)] (1) and [Pd(eta(3)-2-CH3-C3H4)(Ph2PPy)(2)]BF4 (3) has been protonated with methanesulfonic acid to afford the corresponding pyridinium salts [PdCl(eta(3)-2-CH3-C3H4)(Ph2PPyH)](CH3SO3) (1a) and [Pd(eta(3)-2-CH3-C3H4)(Ph2PPyH)(2)](CH3SO3)(2)(BF4) (3a).Protonation strongly influences the H-1 and C-13 NMR spectral parameters of the allyl moieties of 1a and 3a whose signals resonate at lower fields with respect to the parent species indicating that upon protonation Ph2PPy becomes a weaker sigma-donor and a stronger Pi-acceptor. The allyl moiety, which in 1 is static, becomes dynamic in 1a, the observed syn-syn and anti-anti exchange being due to deligation of the protonated phosphine from the metal centre. Treatment of complex 3 with diethylamine in the presence of fumaronitrile gives the new Pd(0)-olefin complex [Pd(eta(2)-fumaronitrile)(PPh2Py)(2)] (4) which has been characterized by elemental analysis and NMR spectroscopy. Low temperature protonation of 4 with methanesulfonic acid leads to the bis-protonated species [Pd(eta(2)-fumaronitrile)(Ph2PPyH)(2)](CH3SO3)(2) (4a) which is stable only at temperatures < 0 degrees C. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.063
• 作为产物：
  描述：

  二苯基-2-吡啶膦 、 Pd2(η3-2-CH3C3H4)2(μ-PPh2py)2(BF4)2 以 二氯甲烷 为溶剂， 以80%的产率得到[Pd(η3-2-CH3-C3H4)(2-pyridyldiphenylphosphine)2](BF4)
  参考文献：
  名称：

  Cationic palladium(II)-allyl-complexes containing 2-pyridyldiphenylphosphine: X-ray crystal structure of the binuclear complex [Pd(η3-2-Me-allyl)(μ-Ph2PPy)]2(BF4)2. Detection of an intramolecular C(allyl)–H⋯phenyl ring π-interaction

  摘要：

  Reaction of [PdCl(eta(3)-2-Me-allyl)(Ph2PPy)] (1) with AgBF4 affords the new dinuclear cationic complex [Pd(eta(3)-2-Me-allyl)(mu-Ph2PPy)](2)(BF4)(2) (2). The X-ray structural analysis of 2 shows that the 2-pyridyldiphenylphosphine ligands adopt a binucleating role through the P and N atoms bridging two independent palladium centres to form an eight-membered metallocyclic ring. One of the anti hydrogen atoms of the allyl moiety was located very close to a phenyl ring of Ph2PPY indicating the occurrence of a CH/pi interaction. Addition of one equivalent of Ph2PPy to complex (2) affords the mononuclear cationic complex [Pd(eta(3) -2-Me-allyl)(Ph2PPy)(2)](BF4) (3). (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.04.021