carbanide;N,N-dimethylaniline;palladium(2+);1-(2-pyrazol-1-ylpropan-2-yl)pyrazole;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide | 251101-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: carbanide;N,N-dimethylaniline;palladium(2+);1-(2-pyrazol-1-ylpropan-2-yl)pyrazole;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• CAS: 251101-67-4
• 化学式: C₁₈H₂₆N₅Pd*C₂₄BF₂₀
• 分子量: 1097.9
• InChiKey: PTJWXATYTRIXNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.37
• 重原子数：
  69
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  25

反应信息

• 作为产物：
  描述：

  PdMe2(pyrazol-1-yl)2CMe2 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 二氯甲烷-D2 为溶剂， 生成 carbanide;N,N-dimethylaniline;palladium(2+);1-(2-pyrazol-1-ylpropan-2-yl)pyrazole;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
  参考文献：
  名称：

  Neutral and Cationic Palladium(II) Bis(pyrazolyl)methane Complexes

  摘要：

  The synthesis, structures, and reactivity of neutral and cationic Pd(II) complexes incorporating bis(pyrazolyl)methane ligands are described. The reaction of(CH3CN)(2)PdCl2 with the appropriate bis(pyrazoyl)methane in CH2Cl2 yields {Ph2C(3-Bu-t-pz)(2)}PdCl2 (1) and {Ph2C(pz)(2)}PdCl2 (2). Steric crowding associated with the Bu-t groups of 1 increases the puckering of the chelate ring (boat conformation) and retards the chelate ring inversion relative to 2. The reaction of {Me2C(pz)(2)}PdMe2 (3) with [HNMe2Ph][B(C6F5)(4)] yields (Me2C(pz)(2)}PdMe(NMe2Ph)(+) (4a, B(C6F5)(4)(-) salt), while treatment of 3 with [H(OEt2)(2)][B{3,5(CF3)(2)C6H3}(4)] yields (Me2C(pz)(2)}PdMe(OEt2)(+) (4b, B{3,5-(CF3)(2)C6H3)(4)(-) salt). Complex 4a reacts with ethylene at -60 degrees C (CD2Cl2) to yield {Me2C(pz)(2))PdMe(CH2=CH2)(+) (5, B(C6F5)(4)(-) salt) and free NMe2Ph. Cation 5 undergoes ethylene insertion at -10 degrees C and oligomerizes ethylene (1 atm) to predominantly linear internal C-8 to C-24 olefins (ca. 0.1 branches per 2 carbons) at 23 degrees C.

  DOI：

  10.1021/om990508e