(triphenylphosphine)gold(I) isobutyrate | 134705-40-1

• 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: (triphenylphosphine)gold(I) isobutyrate
• CAS: 134705-40-1
• 化学式: C₂₂H₂₂AuO₂P
• 分子量: 546.356
• InChiKey: HPVDBHJQEAJDFN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (triphenylphosphine)gold(I) isobutyrate 以 苯 为溶剂， 生成 金
  参考文献：
  名称：

  Decarboxylation of (triphenylphosphine)gold(I) carboxylates

  摘要：

  (Triphenylphosphine)gold(I) carboxylates Ph3PAuOC(O)CH(CH3)2 (1) and Ph3PAuOC(O)CH(OH)CH3 (2) have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Decarboxylation of these complexes is observed at temperatures under 100-degrees-C with the formation of carbon dioxide, metallic gold (mirror), triphenylphosphine, and organic products. The nature of the organic products that are formed depends on the type of carboxylate and the reaction conditions. Decarboxylation of a carboxylate copolymer of polyethylene and acrylic acid (EAA), Dow Chemical PRIMACOR 5980, with [Ph3PAu]+ bound to the carboxylate, is observed to give CO2, triphenylphosphine, metallic gold, and unsaturated polymer. Structural results: complex 1 triclinic, P1BAR, a = 6.845 (1) angstrom, b = 11.968 (3) angstrom, c = 13.413 (3) angstrom, alpha = 77.45 (2)-degrees, beta = 84.80 (2)-degrees, gamma = 77.66 (2)-degrees, V = 1046.6 (4) angstrom 3, Z = 2, R = 0.0306, and R(W) = 0.0315; complex 2 triclinic, P1BAR, a = 8.681 (3) angstrom, b = 11.342 (4) angstrom, c = 12.619 (5) angstrom, alpha = 111.74 (3)-degrees, beta = 104.37 (3)-degrees, gamma = 95.34 (3)-degrees, V = 1094.1 (7) angstrom 3, Z = 2, R = 0.060, and R(W) = 0.060.

  DOI：

  10.1021/om00053a021
• 作为产物：
  描述：

  三苯基膦氯金 、 silver isobutyrate 以 苯 为溶剂， 以80%的产率得到(triphenylphosphine)gold(I) isobutyrate
  参考文献：
  名称：

  Decarboxylation of (triphenylphosphine)gold(I) carboxylates

  摘要：

  (Triphenylphosphine)gold(I) carboxylates Ph3PAuOC(O)CH(CH3)2 (1) and Ph3PAuOC(O)CH(OH)CH3 (2) have been synthesized and structurally characterized by single-crystal X-ray diffraction studies. Decarboxylation of these complexes is observed at temperatures under 100-degrees-C with the formation of carbon dioxide, metallic gold (mirror), triphenylphosphine, and organic products. The nature of the organic products that are formed depends on the type of carboxylate and the reaction conditions. Decarboxylation of a carboxylate copolymer of polyethylene and acrylic acid (EAA), Dow Chemical PRIMACOR 5980, with [Ph3PAu]+ bound to the carboxylate, is observed to give CO2, triphenylphosphine, metallic gold, and unsaturated polymer. Structural results: complex 1 triclinic, P1BAR, a = 6.845 (1) angstrom, b = 11.968 (3) angstrom, c = 13.413 (3) angstrom, alpha = 77.45 (2)-degrees, beta = 84.80 (2)-degrees, gamma = 77.66 (2)-degrees, V = 1046.6 (4) angstrom 3, Z = 2, R = 0.0306, and R(W) = 0.0315; complex 2 triclinic, P1BAR, a = 8.681 (3) angstrom, b = 11.342 (4) angstrom, c = 12.619 (5) angstrom, alpha = 111.74 (3)-degrees, beta = 104.37 (3)-degrees, gamma = 95.34 (3)-degrees, V = 1094.1 (7) angstrom 3, Z = 2, R = 0.060, and R(W) = 0.060.

  DOI：

  10.1021/om00053a021