silver(I) perfluoro(2,5-dimethyl-3,6-dioxanonanoate) | 1600503-77-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: silver(I) perfluoro(2,5-dimethyl-3,6-dioxanonanoate)
• CAS: 1600503-77-2
• 化学式: Ag*C₉F₁₇O₄
• 分子量: 602.938
• InChiKey: QOOXBYWEXVEMBT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  58.59
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Hoveyda-Grubbs catalyst second generation 、 silver(I) perfluoro(2,5-dimethyl-3,6-dioxanonanoate) 以 二氯甲烷 为溶剂， 反应 3.0h， 以41.4%的产率得到[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene](2-isopropoxybenzylidene)bis[perfluoro(2,5-dimethyl-3,6-dioxanonanoyl)oxy]ruthenium(IV)
  参考文献：
  名称：

  Heavy fluorous phosphine-free ruthenium catalysts for alkene metathesis

  摘要：

  Second generation Grubbs catalyst was modified stepwise with perfluoroalkylated isopropoxystyrene and two perfluoroalkanoate or perfluoropolyoxaalkanoate ligands to afford heavy fluorous phosphine-free ruthenium complexes, which displayed high activity in model ring-closing metathesis reactions. Surprisingly, substitution with linear perfluoropolyether chains led to the complexes of higher activity and fluorophilicity compared to perfluoroalkyl chains, while the use of branched perfluoropolyether ponytails resulted in significantly inferior activity probably due to increased steric hindrance around the active ruthenium centre. Similar reactivity pattern with slightly lower activity was observed for the second generation Hoveyda-Grubbs catalysts bearing perfluoroalkanoate or perfluoropolyoxaalkanoate groups and non-fluorinated isopropoxybenzylidene ligand. Depending on the reaction system, unactivated precatalysts can be recycled by heavy fluorous extraction with perfluoro(methylcyclohexane). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.03.003
• 作为产物：
  描述：

  全氟-2,5-二甲基-3,6-二氧杂壬酸 、 silver(l) oxide 以 丙酮 为溶剂， 反应 5.0h， 以41%的产率得到silver(I) perfluoro(2,5-dimethyl-3,6-dioxanonanoate)
  参考文献：
  名称：

  Heavy fluorous phosphine-free ruthenium catalysts for alkene metathesis

  摘要：

  Second generation Grubbs catalyst was modified stepwise with perfluoroalkylated isopropoxystyrene and two perfluoroalkanoate or perfluoropolyoxaalkanoate ligands to afford heavy fluorous phosphine-free ruthenium complexes, which displayed high activity in model ring-closing metathesis reactions. Surprisingly, substitution with linear perfluoropolyether chains led to the complexes of higher activity and fluorophilicity compared to perfluoroalkyl chains, while the use of branched perfluoropolyether ponytails resulted in significantly inferior activity probably due to increased steric hindrance around the active ruthenium centre. Similar reactivity pattern with slightly lower activity was observed for the second generation Hoveyda-Grubbs catalysts bearing perfluoroalkanoate or perfluoropolyoxaalkanoate groups and non-fluorinated isopropoxybenzylidene ligand. Depending on the reaction system, unactivated precatalysts can be recycled by heavy fluorous extraction with perfluoro(methylcyclohexane). (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.03.003