[(PCy2(2',4',6'-triisopropylbiphenyl)AuBr] | 925253-64-1

• 英文名称: [(PCy2(2',4',6'-triisopropylbiphenyl)AuBr]
• 英文别名: [(XPhos)AuBr]
• CAS: 925253-64-1
• 化学式: C₃₃H₄₉AuBrP
• 分子量: 753.596
• InChiKey: OJUXFYPDKVPLSS-UHFFFAOYSA-M

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：
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反应信息

• 作为反应物：
  描述：

  [(PCy2(2',4',6'-triisopropylbiphenyl)AuBr] 、 2-联苯硼酸 在 cesium carbonate 作用下， 以 异丙醇 为溶剂， 以80%的产率得到[(XPhos)Au(2-biphenyl)]
  参考文献：
  名称：

  Probing the Steric Limits of Carbon−Gold Bond Formation: (Dialkylbiarylphosphine)gold(I) Aryls

  摘要：

  Aryl-group transfer from arylboronic acids to gold has emerged as a functionally tolerant alternative to classical lithiation- and magnesiation-based synthesis of arylgold(I) species. Here, the scope of the reaction is explored with attention to the sterics of the boronic acid starting material and the supporting ligand on gold. Dicyclohexylbiaryl phosphines are selected as supporting ligands on gold(I) because of their substantial bulk. Aryl-group transfer is compatible with steric buildup on either reaction partner. The structural preference of gold(I) for linear, two-coordinate geometries circumvents potential steric clashes. The new organometallics likely gain added stability through dative interactions with the flanking phosphine biaryl arm and, in three cases, through pi-interactions with the aryl ligand sigma-bonded to gold. The new compounds are characterized by multinuclear NMR and optical spectroscopy, X-ray diffraction crystallography, and combustion analysis. All compounds absorb ultraviolet light at wavelengths lambda < 325 nm. Time-dependent density-functional theory calculations find that multiple singlet-singlet transitions account for the absorption profile, which has both intraligand and (ligand-metal)-to-ligand charge-transfer character.

  DOI：

  10.1021/om800746u
• 作为产物：
  描述：

  2-二环己基磷-2,4,6-三异丙基联苯 以 二氯甲烷 、 水 、 甲苯 为溶剂， 生成 [(PCy2(2',4',6'-triisopropylbiphenyl)AuBr]
  参考文献：
  名称：

  Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State

  摘要：

  Dialkylbiarylphosphines are an emerging ligand set that promote catalytic reactions of electrophilic late transition-element centers through dative interactions of the biaryl arm with the metal site. Presented here are syntheses and crystal structures of five new (dicyclohexylbiarylphosphine)gold(I) chlorides and bromides. X-ray diffraction crystallography reveals close approaches between gold(I) and the flanking ipso carbon (mean Au-C-ipso distance, compounds 2-6: 3.156 angstrom). New compounds have been characterized by multinuclear NMR spectroscopy, X-ray diffraction crystallography, and combustion analysis.

  DOI：

  10.1021/om700517q

文献信息

• Relativistic Functional Groups: Aryl Carbon–Gold Bond Formation by Selective Transmetalation of Boronic Acids
  作者：David V. Partyka、Matthias Zeller、Allen D. Hunter、Thomas G. Gray

  DOI：10.1002/anie.200603350

  日期：2006.12.11