[Pd((2,6-(i-Pr)2C6H3)-N=CMeCMe=N-(2,6-(i-Pr)2C6H3))Me(acrylonitrile)][B(3,5-(CF3)2C6H3)4] | 867065-04-1

• 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: [Pd((2,6-(i-Pr)2C6H3)-N=CMeCMe=N-(2,6-(i-Pr)2C6H3))Me(acrylonitrile)][B(3,5-(CF3)2C6H3)4]
• CAS: 867065-04-1
• 化学式: C₃₂H₁₂BF₂₄*C₃₂H₄₆N₃Pd
• 分子量: 1442.38
• InChiKey: VBSIZRHCFUMXCB-IEKQQNLMSA-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((2,6-(i-Pr)2C6H3)-N=CMeCMe=N-(2,6-(i-Pr)2C6H3))Me(acrylonitrile)][B(3,5-(CF3)2C6H3)4] 、 丙烯腈 以 further solvent(s) 为溶剂， 生成 [Pd(2,6-(i-Pr)2C6H3)N=CMeCMe=N-(2,6-(i-Pr)2C6H3))Me(Et2O)](1+)
  参考文献：
  名称：

  Coordination insertion reactions of acrylonitrile into Pd–H and Pd–methyl bonds in a diimine-palladium(II) system

  摘要：

  Acrylonitrile (AN) displaces the ethyl ether ligand of the cationic complex [Pd(N-N)Me(Et2O)](+) (N-N = (2,6-(i-Pr)(2)C6H3)- N = CMeCMe = N-(2,6-(i-Pr)(2)C6H3)) to form the N-bonded AN complex [Pd(N-N)Me(AN)](+), which exists as two interconverting rotamers. On standing or heating, [Pd(N-N)Me(AN)](+) undergoes 2,1-insertion to give [Pd(N-N)(CH(CN)CH2Me)(AN)](+), which undergoes beta-hydrogen elimination to give the intermediate hydride, [Pd(N-N)H(AN)](+), which in turn inserts AN to give the cyanoethyl complex [Pd(N-N)(CH(CN)Me)](+). Dimerization of the [Pd(N-N)(CH(CN)CH2CH3)](+) moiety via bridging nitrile groups also occurs, giving the dicationic species [Pd(N-N)(CH(CN)CH2Me)](2+)(2). Although [Pd(N-N)Me(AN)](+) does behave as a typical Brookhart ethylene polymerization catalyst, it does not catalyze AN polymerization and in fact added AN suppresses ethylene polymerization. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.07.031
• 作为产物：
  描述：

  [[(2,6-diisopropylphenyl)N=CMe-CMe=N(2,6-diisopropylphenyl)]PdMe(OEt2)]B[3,5-(CF3)2C6H3]4 、 丙烯腈 以 further solvent(s) 为溶剂， 以90%的产率得到[Pd((2,6-(i-Pr)2C6H3)-N=CMeCMe=N-(2,6-(i-Pr)2C6H3))Me(acrylonitrile)][B(3,5-(CF3)2C6H3)4]
  参考文献：
  名称：

  Coordination insertion reactions of acrylonitrile into Pd–H and Pd–methyl bonds in a diimine-palladium(II) system

  摘要：

  Acrylonitrile (AN) displaces the ethyl ether ligand of the cationic complex [Pd(N-N)Me(Et2O)](+) (N-N = (2,6-(i-Pr)(2)C6H3)- N = CMeCMe = N-(2,6-(i-Pr)(2)C6H3)) to form the N-bonded AN complex [Pd(N-N)Me(AN)](+), which exists as two interconverting rotamers. On standing or heating, [Pd(N-N)Me(AN)](+) undergoes 2,1-insertion to give [Pd(N-N)(CH(CN)CH2Me)(AN)](+), which undergoes beta-hydrogen elimination to give the intermediate hydride, [Pd(N-N)H(AN)](+), which in turn inserts AN to give the cyanoethyl complex [Pd(N-N)(CH(CN)Me)](+). Dimerization of the [Pd(N-N)(CH(CN)CH2CH3)](+) moiety via bridging nitrile groups also occurs, giving the dicationic species [Pd(N-N)(CH(CN)CH2Me)](2+)(2). Although [Pd(N-N)Me(AN)](+) does behave as a typical Brookhart ethylene polymerization catalyst, it does not catalyze AN polymerization and in fact added AN suppresses ethylene polymerization. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.07.031