Au(tetramethylthiourea)(tBu)2P(C6H4C6H5) | 1428578-78-2

• 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: Au(tetramethylthiourea)(tBu)2P(C6H4C6H5)
• CAS: 1428578-78-2
• 化学式: C₂₅H₃₉AuN₂PS*F₆Sb
• 分子量: 863.345
• InChiKey: HFRJNSPAZFWBMF-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  8.59
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氯[2-(二叔丁基磷)二苯基]金 以 氘代氯仿 、 二氯甲烷 为溶剂， 反应 0.08h， 生成 Au(tetramethylthiourea)(tBu)2P(C6H4C6H5)
  参考文献：
  名称：

  溶液中金催化剂的配位化学：详细的NMR研究

  摘要：

  已通过NMR光谱在室内溶液中研究了带有八种不同配体[L = PPh 3，JohnPhos（L2），Xphos（L3），DTBP，IMes，IPr，dppf，S- tolBINAP（L8）的金催化剂的配位化学温度。阳离子或中性单核复合物LAuX（L = L2，L3，IMes，IPr; X =带电或中性配体）进行简单的配体交换而没有给出任何更高的配位络合物。对于L2 AUX测定以下配体强度系列：MeOH«hex-3-炔

  DOI：

  10.1002/chem.201201215

文献信息

• Quantitative Evaluation of the Stability of <i>gem</i>-Diaurated Species in Reactions with Nucleophiles
  作者：Alexander Zhdanko、Martin E. Maier

  DOI：10.1021/om400083f

  日期：2013.3.25

  The reactivity of diaurated species toward nucleophiles was investigated. The reaction yields vinyl gold species and is described as simple S(N)2 ligand exchange at gold. Using suitably strong nucleophiles, equilibrium constants were determined to measure the stability of various diaurated species. On the basis of these equilibrium constants the influence of ligand and the nature of vinyl cores on the stability were analyzed. These results have direct implication for gold catalysis: it was demonstrated that vinyl gold intermediates bind the catalytic LAu+ species generally stronger than an alkyne (the substrate) by a factor of 10(6)-10(9). This demonstrates that the formation of diaurated species from vinyl gold intermediates is thermodynamically favored in a catalytic reaction.