3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane;palladium(1+) monohydride;tricyclohexylphosphane;trifluoromethanesulfonate | 327597-03-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane;palladium(1+) monohydride;tricyclohexylphosphane;trifluoromethanesulfonate
• CAS: 327597-03-5
• 化学式: CF₃O₃S*C₃₃H₆₈P₃Pd
• 分子量: 813.315
• InChiKey: JACQTUGSAWRIET-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.22
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  57.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1,3-二(二异丙基膦酰)丙烷 以 四氢呋喃 、 乙醚 为溶剂， 生成 3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane;palladium(1+) monohydride;tricyclohexylphosphane;trifluoromethanesulfonate
  参考文献：
  名称：

  Synthesis, Characterization, and Reactivity of [((ⁱPr)₂P(CH₂)₃P(ⁱPr)₂)(PCy₃)PdH][OR]

  摘要：

  The preparation of (DIPPP)Pd(PR3) and [(DIPPP)(PR3)PdH][OR'] (DIPPP = bis(1,3-diisopropylphosphino)propane; R = Cy, Et; R' = Ar, CF3SO2) is reported. (DIPPP)Pd(PCy3) and [(DIPPP)(PCy3)PdH][CF3SO3] have been structurally characterized. (DIPPP)Pd(PR3) complexes catalyze the reaction of ethylene with carbon monoxide and phenols to give aryl propionates. In situ P-31 NMR experiments have shown that the resting state of the catalyst in these transformations is the binuclear species [C(DIPPP)Pd)(2)(mu -H)(mu -CO)][OPh].

  DOI：

  10.1021/om0008833