trans-PdCl(tetrahydrothiophene)2(2,4,6-tris(trifluoromethyl)phenyl) | 175693-29-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-PdCl(tetrahydrothiophene)2(2,4,6-tris(trifluoromethyl)phenyl)
• 英文别名: trans-[PdCl(4,6-tris(trifluoromethyl)phenyl)(tetrahydrothiophene)2]；trans-PdCl(tetrahydrothiophene)2(nonafluoromesityl)；trans-[PdCl(Fmes)(tht)2)]；chloropalladium(1+);thiolane;1,3,5-tris(trifluoromethyl)benzene-6-ide
• CAS: 175693-29-5
• 化学式: C₁₇H₁₈ClF₉PdS₂
• 分子量: 599.321
• InChiKey: NJAUETXKFVSCKD-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：
  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：

  trans-PdCl(tetrahydrothiophene)2(2,4,6-tris(trifluoromethyl)phenyl) 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 trans-[Pd(4,6-tris(trifluoromethyl)phenyl)(tetrahydrothiophene)2(water)][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：

  trans-[PdCl₂(THT)2] 、 2,4,6-tris(trilfuoromethyl)phenyllithium 以 乙醚 为溶剂， 以67%的产率得到trans-PdCl(tetrahydrothiophene)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

文献信息

• Monoarylated Fluoromesitylpalladium Complexes
  作者：Camino Bartolomé、Pablo Espinet、Jose M. Martín‐Alvarez、Fernando Villafañe

  DOI：10.1002/ejic.200300229

  日期：2003.9

  [Pd(μ-Cl)(Fmes)(NCMe)]2 is generated by boiling under reflux [PdCl(Fmes)(COD)] in MeCN, and has been used to obtain various binuclear monoarylated complexes [Pd(Fmes)(μ-X)L]2 [X = Br, L = MeCN, P(o-Tol)3; X = Cl, L = CO, 4-pic, 3,5-lut, P(o-Tol)3]. Other [Pd(Fmes)(μ-X)L]2 complexes have been obtained from trans-[PdCl(Fmes)(SMe2)2] (X = Cl, L = tht, SMe2, PPh3) and from K[Pd4(Fmes)4I5] [X = I, L = P(o-Tol)3]

  单芳基化配合物 [PdCl(Fmes)(LL)] [Fmes = 2,4,6-tris(trifluoromethyl)phenyl or fluoromesityl] 和 trans-[PdCl(Fmes)L2] 已通过 [PdCL2(LL)] 的芳基化获得(LL = tmeda) 或反式 [PdCL2L2] (L = SMe2)，通过在 [Pd(μ-Cl)(Fmes)(NCMe)]2 LL = 4,4'-Me2bipy, biquinolyl 中分裂桥接氯配体(2,2'-二喹啉), OPPhPy2-N,N', (OH)(CH3)CPy2-N,N', dppe, pte [1,2-双(苯硫基)乙烷]; L = 4-pic}，或通过取代 [PdCl(Fmes)(COD)] 中的二烯烃 (L = tBuNC)。[Pd(μ-Cl)(Fmes)(NCMe)]2 和单齿配体的 1:1 比例提供 [PdCl(Fmes)(NCMe)L]