(1-methyl-2-diphenylphosphino-3-methylimidazolium)chlorogold(I) triflate | 1610951-42-2

• 英文名称: (1-methyl-2-diphenylphosphino-3-methylimidazolium)chlorogold(I) triflate
• CAS: 1610951-42-2
• 化学式: CF₃O₃S*C₁₇H₁₈AuClN₂P
• 分子量: 662.807
• InChiKey: LJDAWBWGRVPXKF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  四氯金酸水合物 、 (1-methyl-2-diphenylphosphino-3-methylimidazolium)chlorogold(I) triflate 以 二氯甲烷 为溶剂， 以93%的产率得到(1-methyl-2-diphenylphosphino-3-methylimidazolium)chlorogold(I) tetrachloroaurate
  参考文献：
  名称：

  The ionic mononuclear and trinuclear Au(I)-complexes ligated by phosphine-functionalized ionic liquids: Synthesis, characterization, and catalysis to hydration of phenylacetylene

  摘要：

  A series of ionic Au(I)-complexes ligated by the phosphine-functionalized ionic liquids were synthesized and characterized, which are composed of the Au(I)-complex cation and the counteranion of OTf , AuCl4, or PF6-, respectively. The single crystal X-ray diffraction analyses show that the Au(I)-centered vector in 1A, 1B, 2A, 3A, and 4A all possess the slightly twisted linear geometry, and in each individual the Au(I)-center is coordinated by one chlorine and one imidazolium-based phosphine. The aggregation of 1B in acetone can lead to the formation of the trinuclear Au(I)-complex of 1C due to the aurophilic Au(I)-Au(I) interaction, the electrostatic attraction, and the steric preference. When these ionic Au-complexes were employed as precatalysts for hydration of phenylacetylene in aqueous-methanol media, the reaction proceeded selectively according to Markovnikov's rule with moderate to high yields of acetophenone. The highest activities were achieved over 2A with hydrophobic PF6- as the counteranion and the trinuclear 1C under mild conditions (75 degrees C, 2 h), in conjunction with the additive of proton acid H2SO4. The ion-pair effect on the catalytic performance of the corresponding Au(I)-complexes, coming from the phosphine-ligated cations and the counteranions, were investigated. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.005
• 作为产物：
  描述：

  2-(二苯基膦基)-1-甲基-1H-咪唑 以 二氯甲烷 为溶剂， 反应 1.25h， 生成 (1-methyl-2-diphenylphosphino-3-methylimidazolium)chlorogold(I) triflate
  参考文献：
  名称：

  The ionic mononuclear and trinuclear Au(I)-complexes ligated by phosphine-functionalized ionic liquids: Synthesis, characterization, and catalysis to hydration of phenylacetylene

  摘要：

  A series of ionic Au(I)-complexes ligated by the phosphine-functionalized ionic liquids were synthesized and characterized, which are composed of the Au(I)-complex cation and the counteranion of OTf , AuCl4, or PF6-, respectively. The single crystal X-ray diffraction analyses show that the Au(I)-centered vector in 1A, 1B, 2A, 3A, and 4A all possess the slightly twisted linear geometry, and in each individual the Au(I)-center is coordinated by one chlorine and one imidazolium-based phosphine. The aggregation of 1B in acetone can lead to the formation of the trinuclear Au(I)-complex of 1C due to the aurophilic Au(I)-Au(I) interaction, the electrostatic attraction, and the steric preference. When these ionic Au-complexes were employed as precatalysts for hydration of phenylacetylene in aqueous-methanol media, the reaction proceeded selectively according to Markovnikov's rule with moderate to high yields of acetophenone. The highest activities were achieved over 2A with hydrophobic PF6- as the counteranion and the trinuclear 1C under mild conditions (75 degrees C, 2 h), in conjunction with the additive of proton acid H2SO4. The ion-pair effect on the catalytic performance of the corresponding Au(I)-complexes, coming from the phosphine-ligated cations and the counteranions, were investigated. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.005