[ReCl2(3,5-dimethylpyrazole)3(PPh3)]Cl | 852804-95-6

• 英文名称: [ReCl2(3,5-dimethylpyrazole)3(PPh3)]Cl
• CAS: 852804-95-6
• 化学式: C₃₃H₃₉Cl₂N₆PRe*Cl
• 分子量: 843.253
• InChiKey: IWJRAIANCSSWRD-UHFFFAOYSA-K

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：

  rhenum(V) dichloro-η2-benzoylhydrazido(3-) bis(triphenylphosphine) 、 三(3,5-二甲基-1-吡唑基)甲烷 以 甲醇 为溶剂， 以59%的产率得到[ReCl2(3,5-dimethylpyrazole)3(PPh3)]Cl
  参考文献：
  名称：

  Syntheses and properties of Re(III) complexes derived from hydrotris(1-pyrazolyl)methanes: molecular structure of [ReCl2(HCpz3)(PPh3)][BF4]

  摘要：

  The complexes [ReCl2{N2C(O)Ph}(Hpz)(PPh3)(2)] (1) (Hpz = pyrazole), [ReCl2{(N2CO)Ph}(Hpz)(2)(PPh3)] (2), [ReCl2(HCpz(3))(PPh3)][BF4] (3) and [ReCl2(3,5-MeHpz)(3)(PPh3)]Cl (4) were obtained by treatment of the chelate [ReCl2{eta(2)-N,O-N2C(O)Ph}(PPh3)(2)] (0) with hydrotris(1-pyrazolyl)methane HCpz(3) (1,3), pyrazole Hpz (1,2), hydrotris(3,5-dimethyl-1-pyrazolyl)methane HC(3,5-Me(2)pz)(3) (4) or dimethylpyrazole 3,5-MeHpz (4). Rupture of a C(sp(3))-N bond in HCpz(3) or HC(3,5-Me(2)pz)(3), promoted by the Re centre, has occurred in the formation of 1 or 4, respectively. All compounds have been characterized by elemental analyses, IR and NMR spectroscopy, FAB-MS spectrometry, cyclic voltammetry and, for 1 center dot CH2O2 and 3, also by single crystal X-ray analysis. The electrochemical E-L Lever parameter has been estimated, for the first time, for the HCpz(3) and the benzoyldiazenide NNC(O)Ph ligands. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.11.005