[Au2(μ-pyridine-2-thiolate)(μ-1,1'-bis(diphenylphosphino)ferrocene)]OTf | 196490-41-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [Au2(μ-pyridine-2-thiolate)(μ-1,1'-bis(diphenylphosphino)ferrocene)]OTf
• 英文别名: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;gold(1+);iron(2+);pyridine-2-thiolate;trifluoromethanesulfonate
• CAS: 196490-41-2
• 化学式: CF₃O₃S*C₃₉H₃₂Au₂FeNP₂S
• 分子量: 1207.55
• InChiKey: ZZNAGYRVDAFYJB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.36
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  79.5
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  [Au2(pyridine-2-thiolate)2(μ-1,1'-bis(diphenylphosphino)ferrocene)] 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以88%的产率得到[Au2(μ-pyridine-2-thiolate)(μ-1,1'-bis(diphenylphosphino)ferrocene)]OTf
  参考文献：
  名称：

  Substitution Reaction Studies on [Au₂Cl₂(μ-dppf)] (dppf = 1,1‘-Bis(diphenylphosphino)ferrocene). Synthesis of the First Gold(I) Complex with a μ₃-2-Pyridinethiolate Ligand

  摘要：

  Substitution of the chlorine ligand in the complex [Au2Cl2(mu-dppf)] by other halogens or anionic Ligands such as Spy(-)(2-pyridinethiolate) or S2CNR2- have been carried out. The complexes [Au-2(Spy)(2)(mu-dppf)] and [Au-2(S2CNR2)(2)(mu-dppf)] possess a nitrogen or sulfur donor atom that can coordinate to a metallic fragment; thus reactions of these complexes with [Au(OTf)(PR3)] in various molar ratios have been studied. The crystal structures of [Au2I2(mu-dppf)], [Au2Cl2(mu-dppf)], and [Au-3(mu(3)-Spy)(mu-dppf)(PPh2Me)](OTf)(2) have been established by X-ray diffraction studies. The last represents the first example where a pyridinethiolate ligand bridges three gold atoms.

  DOI：

  10.1021/ic9704445