sodium 6-fluoro-2-oxypyridinate | 58719-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: sodium 6-fluoro-2-oxypyridinate
• 英文别名: sodium 6-fluoro-2-pyridonate；sodium;6-fluoropyridin-2-olate
• CAS: 58719-52-1
• 化学式: C₅H₃FNO*Na
• 分子量: 135.073
• InChiKey: XYZVJWSZLZPWNG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.95
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  氯化铑(三水) 、 sodium 6-fluoro-2-oxypyridinate 在 EtOH 作用下， 以 甲醇 为溶剂， 以35%的产率得到dirhodium(II) tetrakis(6-fluoro-2-oxypyridinate) EtOH adduct
  参考文献：
  名称：

  Cotton, F. Albert; Han, Scott; Wang, Wenning, Inorganic Chemistry, 1984, vol. 23, # 26, p. 4762 - 4765

  摘要：

  DOI：

文献信息

• Synthesis, structural characterisation, electron paramagnetic resonance and magnetic studies of homoleptic copper complexes of pyridonate ligands
  作者：Alexander J. Blake、Craig M. Grant、Eric J. L. McInnes、Frank E. Mabbs、Paul E. Y. Milne、Simon Parsons、Jeremy M. Rawson、Richard E. P. Winpenny

  DOI：10.1039/dt9960004077

  日期：——

  Three homoleptic copper(II) complexes have been prepared which feature 6-halogen-substituted 2-pyridonate ligands [Cu2(xhp)4}n](n= 1, xhp = 6-chloro- or 6-bromo-2-pyridonate; n= 2, xhp = 6-fluoro-2-pyridonate). X-ray structural analysis of the complexes showed that for the chlorine- and bromine-substituted derivatives a dinuclear complex forms where the xhp ligands are arranged to give a dimeric unit with idealised D2d symmetry. For the fluorine-substituted ligand smaller steric requirements allow rearrangement to occur to give dinuclear units with approximate C4v symmetry, which can then dimerise giving tetrametallic molecules. The Cu ⋯ Cu contacts within these species are around 2.5 Å, and to investigate the nature of the Cu ⋯ Cu interaction variable-temperature EPR and magnetic studies were carried out. These revealed strong antiferromagnetic exchange between the S=½ centres; EPR also revealed a weak interdimer exchange which was not evident from susceptibility measurements.

  我们制备了三种同色铜(II)配合物，它们具有 6-卤素取代的 2-吡啶甲酸配体 [Cu2(xhp)4}n]（n= 1，xhp = 6-氯或 6-溴-2-吡啶甲酸；n= 2，xhp = 6-氟-2-吡啶甲酸）。对这些配合物的 X 射线结构分析表明，氯和溴取代的衍生物形成了双核配合物，其中 xhp 配体的排列形成了具有理想 D2d 对称性的二聚单元。对于氟取代的配体，较小的立体要求允许发生重排，产生近似 C4v 对称性的双核单元，然后二聚产生四金属分子。为了研究 Cu ⋯ Cu 相互作用的性质，我们进行了变温 EPR 和磁性研究。这些研究揭示了 S=½ 中心之间强烈的反铁磁性交换；EPR 还揭示了微弱的嵌体间交换，而这种交换在电感测量中并不明显。
• Blake, Alexander J.; Gilby, Liam M.; Parsons, Simon, Journal of the Chemical Society, Dalton Transactions, 1996, # 17, p. 3575 - 3581
  作者：Blake, Alexander J.、Gilby, Liam M.、Parsons, Simon、Rawson, Jeremy M.、Reed, David、Solan, Gregory A.、Winpenny, Richard E. P.

  DOI：——

  日期：——
• Cotton, F. Albert; Falvello, Larry R.; Han, Scott, Inorganic Chemistry, 1983, vol. 22, # 26, p. 4106 - 4112
  作者：Cotton, F. Albert、Falvello, Larry R.、Han, Scott、Wang, Wenning

  DOI：——

  日期：——
• Delton communication. A dimer of dimers and a polymer of tetramers: structures of copper complexes involving 6-fluoro-2-hydroxypyridine
  作者：Alexander J. Blake、Craig M. Grant、Simon Parsons、Richard E. P. Winpenny

  DOI：10.1039/dt9950001765

  日期：——

  Two copper complexes of 6-fluoro-2-hydroxypyridine (Hfhp) have been synthesised and structurally characterised; the structures are related to those of the copper complexes formed with the analogous 6-chloro ligand but in this case ligand reorganisation leads to oligomerisation of di- and terra-nuclear units.