[Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)3][BF4] | 361164-02-5

• 英文名称: [Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)3][BF4]
• 英文别名: [Pd(Fmes)(NCMe)3][BF4]
• CAS: 361164-02-5
• 化学式: BF₄*C₁₅H₁₁F₉N₃Pd
• 分子量: 597.483
• InChiKey: BGPSFOMRZHYMJU-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

• 作为反应物：
  描述：

  [Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)3][BF4] 以 二氯甲烷 为溶剂， 生成 trans-[Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)(triphenylphosphine)2][BF4]
  参考文献：
  名称：

  Cationic (fluoromesityl)palladium(II) complexes

  摘要：

  Halide abstraction from [Pd(mu-Cl)(Fmes)(NCMe)](2) (Fmes = 2,4,6-tris(trifluoromethyl)phenyl or nonafluoromesityl) with TlBF4 in CH2Cl2/MeCN gives [Pd(Fmes)(NCMe)(3)]BF4, which reacts with monodentate ligands to give the monosubstituted products trans-[Pd(Fmes)L(NCMe)(2)]BF4 (L = PPh3, P(o-Tol)(3), 3,5-lut, 2,4-lut, 2,6-lut; lut = dimethylpyridine), the disubstituted products trans-[Pd(Fmes)(NCMe)(PPh3)(2)]BF4, cis-[Pd(Fmes)(3,5-lut)(2)(NCMe)]BF4, or the trisubstituted products [Pd(Fmes)L-3]BF4 (L = (CNBu)-Bu-t, PHPh2, 3,5-lut, 2,4-lut). Similar reactions using bidentate chelating ligands give [Pd(Fmes)(L-L)(NCME)]BF4 (L-L = bipy, tmeda, dppe, OPPhPy2-N,N', (OH)(CH3)CPy2-N,N'). The complexes trans-[Pd(Fmes)L-2(NCMe)]BF4 (L = PPh3, tht) (tht = tetrahydrothiophene) and [Pd(Fmes)(L-L)(NCMe)]BF4 (L-L = bipy, tmeda) were obtained by halide extraction with TlBF4 in CH2Cl2/MeCN from the corresponding neutral halogeno complexes trans-[Pd(Fmes)ClL2] or [Pd(Fmes)Cl(L-L)]. The aqua complex trans-[Pd(Fmes)(OH2)(tht)(2)]BF4 was isolated from the corresponding acetonitrile complex. Overall, the experimental results on these substitution reactions involving bulky ligands suggest that thermodynamic and kinetic steric effects can prevail affording products or intermediates different from those expected on purely electronic considerations. Thus,water, whether added on purpose or adventitious in the solvent, frequently replaces in part other better donor ligands, suggesting that the smaller congestion with water compensates for the smaller M-OH2 bond energy. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.05.039
• 作为产物：
  描述：

  cis-[Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)2(triphenylphosphine)][BF4] 以 not given 为溶剂， 生成 [Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)3][BF4] 、 trans-[Pd(4,6-tris(trifluoromethyl)phenyl)(acetonitrile)(triphenylphosphine)2][BF4]
  参考文献：
  名称：

  Cationic (fluoromesityl)palladium(II) complexes

  摘要：

  Halide abstraction from [Pd(mu-Cl)(Fmes)(NCMe)](2) (Fmes = 2,4,6-tris(trifluoromethyl)phenyl or nonafluoromesityl) with TlBF4 in CH2Cl2/MeCN gives [Pd(Fmes)(NCMe)(3)]BF4, which reacts with monodentate ligands to give the monosubstituted products trans-[Pd(Fmes)L(NCMe)(2)]BF4 (L = PPh3, P(o-Tol)(3), 3,5-lut, 2,4-lut, 2,6-lut; lut = dimethylpyridine), the disubstituted products trans-[Pd(Fmes)(NCMe)(PPh3)(2)]BF4, cis-[Pd(Fmes)(3,5-lut)(2)(NCMe)]BF4, or the trisubstituted products [Pd(Fmes)L-3]BF4 (L = (CNBu)-Bu-t, PHPh2, 3,5-lut, 2,4-lut). Similar reactions using bidentate chelating ligands give [Pd(Fmes)(L-L)(NCME)]BF4 (L-L = bipy, tmeda, dppe, OPPhPy2-N,N', (OH)(CH3)CPy2-N,N'). The complexes trans-[Pd(Fmes)L-2(NCMe)]BF4 (L = PPh3, tht) (tht = tetrahydrothiophene) and [Pd(Fmes)(L-L)(NCMe)]BF4 (L-L = bipy, tmeda) were obtained by halide extraction with TlBF4 in CH2Cl2/MeCN from the corresponding neutral halogeno complexes trans-[Pd(Fmes)ClL2] or [Pd(Fmes)Cl(L-L)]. The aqua complex trans-[Pd(Fmes)(OH2)(tht)(2)]BF4 was isolated from the corresponding acetonitrile complex. Overall, the experimental results on these substitution reactions involving bulky ligands suggest that thermodynamic and kinetic steric effects can prevail affording products or intermediates different from those expected on purely electronic considerations. Thus,water, whether added on purpose or adventitious in the solvent, frequently replaces in part other better donor ligands, suggesting that the smaller congestion with water compensates for the smaller M-OH2 bond energy. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.05.039