SP4-3-[Pd(Me)(NCMe)(C7N4H6)][B(3,5-(CF3)2C6H3)4] | 340171-71-3

• 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: SP4-3-[Pd(Me)(NCMe)(C7N4H6)][B(3,5-(CF3)2C6H3)4]
• 英文别名: [Pd(acetonitrile)(Me)(C4H3N2C3H3N2][B(3,5-(CF3)2C6H3)4]；acetonitrile;carbanide;palladium(2+);2-pyrazol-1-ylpyrimidine;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• CAS: 340171-71-3
• 化学式: C₁₀H₁₂N₅Pd*C₃₂H₁₂BF₂₄
• 分子量: 1171.88
• InChiKey: KOYCSZODMJPQLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.85
• 重原子数：
  73
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  30

反应信息

• 作为产物：
  描述：

  、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 二氯甲烷 、 乙腈 为溶剂， 以72%的产率得到SP4-3-[Pd(Me)(NCMe)(C7N4H6)][B(3,5-(CF3)2C6H3)4]
  参考文献：
  名称：

  New catalysts for the alternating copolymerization of 4-tert-butylstyrene/CO

  摘要：

  New cationic palladium(II) complexes, containing C-S-nitrogen chelate ligands with pyrazol moieties, catalyze the copolymerization of styrene with CO under mild conditions, to produce a syndiotactic copolymer. Molecular weight and polydispersity for the obtained polymers are among the best reported for bisnitrogen planar ligands. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00670-7

文献信息

• Pyrazolyl-pyrimidine based ligands in palladium catalyzed copolymerization and terpolymerization of CO/olefins
  作者：Antonio F. Bella、Aurora Ruiz、Carmen Claver、Francisco Sepúlveda、Felix A. Jalón、Blanca R. Manzano

  DOI：10.1016/j.jorganchem.2008.01.022

  日期：2008.4

  Cationic palladium(II) complexes of the type [PdMed(NCMe)(N-N')][BAr'(4)] containing bisnitrogen ligands with a pyrazole moiety were synthesized from the corresponding neutral derivatives [PdClMe(N-N')]. Their characterization by H-1 and C-13 NMR spectroscopy in solution evidences the presence of the Pd-Me group cis to the pyrazole ring. The catalytic behaviour of the cationic complexes in CO/4-tert-butylstyrene copolymerization and CO/ethylene/4-tert-butylstyrene terpolymerization was investigated. Productivity was greatly enhanced when the reaction was carried out in 2,2,2-trifluoroethanol (TFE). Molecular weights and polydispersity (M-w/M-n) of the obtained polyketones resulted among the best reported for C-s-bisnitrogen planar ligands. (C) 2008 Published by Elsevier B.V.