[PdCl(bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine)](BPh4) | 914461-96-4

• 英文名称: [PdCl(bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine)](BPh4)
• CAS: 914461-96-4
• 化学式: C₁₄H₂₃ClN₅Pd*C₂₄H₂₀B
• 分子量: 722.477
• InChiKey: CCCMEQGONWWOKH-UHFFFAOYSA-M

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：

  [PdCl(bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine)](BPh4) 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 生成 cis-[PdCl2(bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine)]*CH2Cl2
  参考文献：
  名称：

  Exploring the coordination chemistry and reactivity of hemilabile N-alkylaminopyrazole ligands towards Pd(II)

  摘要：

  Reaction of the N-alkylaminopyrazole (NN'N) ligands bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine (bdmae) and bis[(3,5dimethyl-1-pyrazolyl)methyl]isopropylamine (bdmai) with [PdCl2(CH3CN)(2)] in a 1:1 M/L ratio in CH2Cl2 produces cis-[PdCl2(NN'N)] (NN'N= bdmae (1), bdmai (2)). The solid state structure of complex 1 was determined by X-ray diffraction studies. The bdmae ligand is coordinated through the two N-pz atoms to the metal atom, which completes its coordination with two chlorine atoms in a cis disposition.Treatment of the corresponding ligand with [PdCl2(CH3CN)(2)] in 1: 1 M/L ratio in the presence of AgBF4 and metathesis with NaBPh4 in CH2Cl2/CH3OH (3:1) gave [PdCl(bdmae)](BPh4) (3), and in the presence of NaBPh4 in CH2Cl2/CH3CN (3:1) gave [PdCl(bdmai)](BPh4) (4). Complexes 1 and 2 were again obtained when complexes 3 and 4 were heated under reflux in a solution of Et4NCl in acetonitrile. These Pd(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-I and C-13{H-1} NMR, HMQC and NOESY spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.046
• 作为产物：
  描述：

  双(乙腈)氯化钯(II) 、 四苯硼钠 、 N,N-bis(3,5-dimethyl-1-pyrazolylmethyl)aminoethane 在 AgBF₄ 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以34%的产率得到[PdCl(bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine)](BPh4)
  参考文献：
  名称：

  Exploring the coordination chemistry and reactivity of hemilabile N-alkylaminopyrazole ligands towards Pd(II)

  摘要：

  Reaction of the N-alkylaminopyrazole (NN'N) ligands bis[(3,5-dimethyl-1-pyrazolyl)methyl]ethylamine (bdmae) and bis[(3,5dimethyl-1-pyrazolyl)methyl]isopropylamine (bdmai) with [PdCl2(CH3CN)(2)] in a 1:1 M/L ratio in CH2Cl2 produces cis-[PdCl2(NN'N)] (NN'N= bdmae (1), bdmai (2)). The solid state structure of complex 1 was determined by X-ray diffraction studies. The bdmae ligand is coordinated through the two N-pz atoms to the metal atom, which completes its coordination with two chlorine atoms in a cis disposition.Treatment of the corresponding ligand with [PdCl2(CH3CN)(2)] in 1: 1 M/L ratio in the presence of AgBF4 and metathesis with NaBPh4 in CH2Cl2/CH3OH (3:1) gave [PdCl(bdmae)](BPh4) (3), and in the presence of NaBPh4 in CH2Cl2/CH3CN (3:1) gave [PdCl(bdmai)](BPh4) (4). Complexes 1 and 2 were again obtained when complexes 3 and 4 were heated under reflux in a solution of Et4NCl in acetonitrile. These Pd(II) compounds were characterised by elemental analyses, conductivity measurements, IR, H-I and C-13{H-1} NMR, HMQC and NOESY spectroscopies. The NMR studies of the complexes prove the rigid conformation of the ligands when they are complexed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.046