Cy3PAu(4-acetylphenyl) | 1391157-74-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cy3PAu(4-acetylphenyl)
• 英文别名: gold(1+);1-phenylethanone;tricyclohexylphosphane
• CAS: 1391157-74-6
• 化学式: C₂₆H₄₀AuOP
• 分子量: 596.543
• InChiKey: XBPIKHMORQRYNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.15
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (Cy₃P)AuBr 、 4-乙酰基苯硼酸 在 Cs₂CO₃ 作用下， 以 异丙醇 为溶剂， 以85%的产率得到Cy3PAu(4-acetylphenyl)
  参考文献：
  名称：

  Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations

  摘要：

  The synthesis of gold(I) complexes of the type LAuR (L = PCy3, IPr; R = aryl; IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) starting from LAuX (X = Br, OAc) and boronic acids in the presence of Cs2CO3 has been investigated. The reactions proceed smoothly in good to excellent yields over the course of 24-48 h in isopropyl alcohol at 50-55 degrees C. The aryl groups include a variety of functionalities and steric bulk, and in two cases, are heterocyclic. All of the products have been characterized by multinuclear NlVIR spectroscopy and elemental analysis and most by X-ray crystallography. This work affirms that, almost without exception, base-assisted auration is a useful and reliable way to form gold-carbon bonds.

  DOI：

  10.1021/ic3009464