[((2,6-(i-Pr)2C6H3)N=CMeCMe=N(2,6-(i-Pr)2C6H3))PdMe2] | 181707-27-7

• 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: [((2,6-(i-Pr)2C6H3)N=CMeCMe=N(2,6-(i-Pr)2C6H3))PdMe2]
• CAS: 181707-27-7
• 化学式: C₃₀H₄₆N₂Pd
• 分子量: 541.129
• InChiKey: RYLHKLRWTOXQFT-GGVBBUNRSA-N

反应信息

• 作为反应物：
  描述：

  [((2,6-(i-Pr)2C6H3)N=CMeCMe=N(2,6-(i-Pr)2C6H3))PdMe2] 、 (Z)-vinyl chloride-d1 、 三(五氟苯基)硼烷 以 二氯甲烷-D2 为溶剂， 生成 [((2,6-(i-Pr)2C6H3)N=CMeCMe=N(2,6-(i-Pr)2C6H3))PdCl(propylene-d1)][MeB(C6F5)3]
  参考文献：
  名称：

  Mechanism of the Reaction of Vinyl Chloride with (α-diimine)PdMe⁺ Species

  摘要：

  The reaction of vinyl chloride (VC) with (alpha-diimine)PdMe+ species yields (alpha-diimine)PdCl-(propene)(+) Isotope labeling experiments using the deuterium-labeled vinyl chlorides 1-VC-d(1) and Z-VC-d(1) combined with DFT computations establish that this reaction proceeds by 2,1-insertion of VC to produce beta-H agostic (alpha-diimine)Pd(CHClCH2Me)(+), chain-walking isomerization to generate beta-Cl dative (alpha-diimine)Pd(CHMeCH2Cl)(+) and syn beta-Cl elimination. The labeling experiments rule out mechanisms involving initial 1,2-insertion or C-Cl oxidative addition. The computational results and the observation of small amounts of propene-d(2) argue against mechanisms involving 2,1-insertion followed by alpha-Cl elimination and a 1,2 H-shift.

  DOI：

  10.1021/om1000925