[(η3-CH2(C4H2O)CO2CH3)Pd(PPh3)2](tetrafluoroborate) | 1251909-38-2

• 英文名称: [(η3-CH2(C4H2O)CO2CH3)Pd(PPh3)2](tetrafluoroborate)
• 英文别名: [(η³-CH₂(C₄H₂O)CO₂CH₃)Pd(PPh₃)₂](tetrafluoroborate)；[(η³-CH₂(C₄H₂O)CO₂CH₃)Pd(PPh₃)₂]BF4
• CAS: 1251909-38-2
• 化学式: BF₄*C₄₃H₃₇O₃P₂Pd
• 分子量: 856.937
• InChiKey: MDWZETRPQJWUNP-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为产物：
  描述：

  trans-[(η¹-CH₂(C₄H₂O)CO₂CH₃)PdCl(triphenylphosphine)₂] 、 silver tetrafluoroborate 以 甲苯 为溶剂， 以46%的产率得到[(η3-CH2(C4H2O)CO2CH3)Pd(PPh3)2](tetrafluoroborate)
  参考文献：
  名称：

  η³-Furfuryl and η³-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans

  摘要：

  A number of cationic and neutral eta(3)-furfuryl complexes of palladium and platinum were prepared, including one with a ligand derived from fructose, 5-chloromethylfurfural. The complexes were studied by variable-temperature and heteronuclear correlation NMR spectroscopy, as well as single-crystal X-ray crystallography. Analogous eta(3)-thienyl complexes could be prepared and detected in solution by NMR, but could not be isolated due to facile decomposition.

  DOI：

  10.1021/om300568z
• 作为试剂：
  描述：

  苄胺 在 [(η3-CH2(C4H2O)CO2CH3)Pd(PPh3)2](tetrafluoroborate) 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 苯甲醛 、 二苄胺
  参考文献：
  名称：

  η³-Furfuryl and η³-Thienyl Complexes of Palladium and Platinum of Relevance to the Functionalization of Biomass-Derived Furans

  摘要：

  A number of cationic and neutral eta(3)-furfuryl complexes of palladium and platinum were prepared, including one with a ligand derived from fructose, 5-chloromethylfurfural. The complexes were studied by variable-temperature and heteronuclear correlation NMR spectroscopy, as well as single-crystal X-ray crystallography. Analogous eta(3)-thienyl complexes could be prepared and detected in solution by NMR, but could not be isolated due to facile decomposition.

  DOI：

  10.1021/om300568z

文献信息

• The η³-Furfuryl Ligand: Plausible Catalytic Intermediates and Heterocyclic η³-Benzyl Analogues with Superior Binding Ability
  作者：Rian D. Dewhurst、Robert Müller、Martin Kaupp、Krzysztof Radacki、Kathrin Götz

  DOI：10.1021/om100786h

  日期：2010.10.25

  Five-membered heterocyclic analogues of the well-known eta(3)-allyl and eta(3)-benzyl ligands, e.g., eta(3)-thienyl and eta(3)-furfuryl, have been proposed as catalytic intermediates, yet are poorly understood and have never been structurally confirmed. Herein we characterize an eta(3)-furfuryl complex by multinuclear R spectroscopy and crystallography and offer a computational survey of allyl and allyl-like ligands. Crystallographically and computationally, we show that the eta(3)-furfuryl ligand may bind more strongly than corresponding eta(3)-benzyl ligands and is plausible as a catalytic intermediate.