1-(triphenylphosphinegold)-3,5-dinitropyridone-2(1H) | 222548-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(triphenylphosphinegold)-3,5-dinitropyridone-2(1H)
• 英文别名: 3,5-dinitropyridin-1-id-2-one;gold(1+);triphenylphosphane
• CAS: 222548-05-2
• 化学式: C₄₆H₃₄Au₂N₆O₁₀P₂
• 分子量: 1286.69
• InChiKey: YKQMJQYYUGROEP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  tris[triphenylphosphinegold(I)]oxonium tetrafluoroborate 、 2-羟基-3,5-二硝基吡啶 在 K₂CO₃ 作用下， 以 四氢呋喃 为溶剂， 以99%的产率得到1-(triphenylphosphinegold)-3,5-dinitropyridone-2(1H)
  参考文献：
  名称：

  Weak interactions and tautomerism in 3,5-dinitrosubstituted 2- and 4-hydroxypyridines and products of their reaction with [O(AuPPh3)3]BF4: synthesis, X-ray structure, IR and UV spectroscopy, and quantum chemical calculations

  摘要：

  Products of the interaction of 3,5-dinitrosubstituted ortho- and para-hydroxypyridines with [O(AuPPh3)(3)][BF4] are investigated by X-ray crystallography, IR and UV spectroscopy. The structure of the parent organic molecules are investigated by the spectroscopic methods and ab initio quantum chemical calculations. The calculation and spectroscopy show that the corresponding organic molecules can exist in both tautomeric forms. The reaction with the ortho isomer results in the N-aurated dimer {[NC5H2(NO2)(2)O](AuPPh3)}(2) bound through Au ... Au interaction. Under similar conditions, the para isomer yields a salt of composition [O(AuPPh3)(3)][NC5H2(NO2)(2)O]. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00949-8