| 1478329-40-6

• CAS: 1478329-40-6
• 化学式: C₂₅H₃₀Cl₂N₆Pd
• 分子量: 591.879
• InChiKey: VQZCIRXOZDHLCQ-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  1,8-二氨基萘 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  Monomeric Pd(II) complexes with trans-chelated pyrazole ligands as effective pre-catalysts for Heck cross-coupling reaction under mild aerobic conditions

  摘要：

  A new family of mononuclear palladium(II) complexes with bidentate trans-chelating pyrazole ligands [PdCl2(L-R)] (R = H, 1; Et, 2; Ph, 3; CHPh2, 4), where new ligand L-Et = 2-ethyl-1,3-bis-(3,5-dimethyl-pyrazol-1-ylmethyl)-2,3-dihydro-1H-perimidine, and a new mononuclear palladium(II) complex with monodentate trans-chelated pyrazole ligand [PdCl2(Ph-pz')(2)] (5), where Ph-pz' = 3,5-dimethyl-1-phenyl-1H-pyrazole, have been synthesized and characterized. Complexes 2-5 were also structurally confirmed by single crystal X-ray diffraction analysis. Remarkably, under very mild conditions (65-70 degrees C), complex 4 appeared to be an active pre-catalyst for the Heck coupling reactions of iodobenzene and t-butyl acrylate in MeOH. In the presence of co-catalyst [nNBu(4)]Br, however, complex 5 displayed the highest catalytic activity for the Heck reactions of activated bromobenzene and t-butyl acrylate. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.08.016