trans-PdCl(PPh3)2(2,4,6-tris(trifluoromethyl)phenyl) | 175693-31-9

• 英文名称: trans-PdCl(PPh3)2(2,4,6-tris(trifluoromethyl)phenyl)
• 英文别名: trans-PdCl(PPh3)2(nonafluoromesityl)；trans-[PdCl(2,4,6-tris(trifluoromethyl)phenyl)(triphenylphosphine)2]；trans-[PdCl(Fmes)(PPh3)2]
• CAS: 175693-31-9
• 化学式: C₄₅H₃₂ClF₉P₂Pd
• 分子量: 947.555
• InChiKey: HLYJFMZVHSGOGU-UHFFFAOYSA-M

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：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氟化硼(+3)铊(+1) 、 trans-PdCl(PPh3)2(2,4,6-tris(trifluoromethyl)phenyl) 、 乙腈 以 乙腈 为溶剂， 以65%的产率得到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：

  2,4,6-tris(trilfuoromethyl)phenyllithium 、 trans-bis(triphenylphosphine)palladium dichloride 以 乙醚 为溶剂， 以52%的产率得到trans-PdCl(PPh3)2(2,4,6-tris(trifluoromethyl)phenyl)
  参考文献：
  名称：

  （2,4,6-三（三氟甲基）苯基）钯（II）配合物

  摘要：

  通过用Li（Fmes）处理钯（II）氯配合物获得反式或顺式包含一个或两个Fmes配体的配合物（Fmes = 2,4,6-三（三氟甲基）苯基=九氟甲磺酰基）：  反式-[PdCl 2 L 2 ]（L =四氢噻吩（tht），PPh 3）导致反式-[Pd（Fmes）ClL 2 ]（L = tht，PPh 3）或反式-[Pd（Fmes）2 L 2 ]（L = tht） ; [PdCl 2（LL）]（LL = 1,5-环辛二烯，2,2'-联吡啶）给出[Pd（Fmes）Cl（LL）]（LL = COD，bipy）或[Pd（Fmes）2（bipy）]。含有两个Fmes配体2种复合物的结构的反式与顺式结构，反式- [钯（Fmes）2（THT）2 ]（2）和[钯（Fmes）2（联吡啶）]（6），分别，已通过X射线衍射测定。尽管存在严重的空间充血，但复合物仍是四个配位的。观察到由于邻位取代基的庞大和Pd···F

  DOI：

  10.1021/om950851t