[Re(CO)3(bis(3,5-dimethylpyrazol-1-yl)methane)Cl] | 1030834-06-0

• 英文名称: [Re(CO)3(bis(3,5-dimethylpyrazol-1-yl)methane)Cl]
• 英文别名: [Re(CO)3(bdmpzm)Cl]
• CAS: 1030834-06-0
• 化学式: C₁₄H₁₆ClN₄O₃Re
• 分子量: 509.966
• InChiKey: LNLAOFMXYAXMEO-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

• 作为产物：
  描述：

  五羰基氯铼(I) 、 1-[(3,5-二甲基吡唑-1-基)甲基]-3,5-二甲基吡唑 以 甲苯 为溶剂， 以85%的产率得到[Re(CO)3(bis(3,5-dimethylpyrazol-1-yl)methane)Cl]
  参考文献：
  名称：

  Tricarbonyl rhenium complexes of bis(pyrazol-1-yl)methane and bis(3,5-dimethylpyrazol-1-yl)methane – Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

  摘要：

  Two novel tricarbonyl rhenium complexes based on the bidentate heterocyclic N-N ligands [bis(pyrazol-1-yl)methane(bpzm) and bis(3,5-dimethylpyrazol-1-yl)methane(bdmpzm)] have been synthesized by heating at reflux [Re(CO)(5)Cl] with the appropriate N-N ligand in toluene. The compounds have been characterized by IR and UV-Vis spectroscopy and X-ray analysis. Density functional theory (DFT) and time-dependent (TD) DFT calculations have been carried out for the (Re(CO)(3)(bdmpzm)Cl] complex. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.02.019