[Pd(C6F5)(OOCCF3)(1,10-phenanthroline)] | 166754-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Pd(C6F5)(OOCCF3)(1,10-phenanthroline)]
• CAS: 166754-47-8
• 化学式: C₂F₃O₂*C₆F₅*C₁₂H₈N₂*Pd
• 分子量: 566.703
• InChiKey: QUTMHRHHZAPMJQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  33.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  65.91
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  [Pd(C6F5)(acetylacetonato-O,O')(tetrahydrothiophene)] 以 二氯甲烷 为溶剂， 生成 [Pd(C6F5)(OOCCF3)(1,10-phenanthroline)]
  参考文献：
  名称：

  Synthesis and reactivity of acetylacetonato-Cγ complexes of MII (M  Pd or Pt): X-ray crystal structure of [Pd(C6F5)(OOCPh)(bipy)]·CHCl3

  摘要：

  Acetylacetonato-C-gamma complexes of stoichiometry [M(C(6)X(5))(acac-C-gamma)(N-N)](M=Pd; X=F or Cl; N-N=1,10-phenanthroline or 2,2'-bipyridine)(M=Pt; X=F; N-N=1,10-phenanthroline (phen), or 2,2'-bipyridine (bipy)) have been obtained by treatment of the acetylacetonato-O,O' complexes [M(C(6)X(5))(acac-O,O')(tht)](tht=tetrahydrothiophene) with the corresponding N-N base in 1/1 molar ratio. Complexes [Pd(C6F5)(acac-C-gamma)(phen)] (1) and [Pd(C6F5)(acac-C-gamma)(bipy)] (2) react with organic substrates containing acidic hydrogen atoms [HR], yielding the corresponding complexes [Pd(C6F5)(R)(N-N)] (R=CF3COO, CH3COO, PhCOO, PhS or P(S)Ph(2)). However, the reaction of 2 with HPPh(2) affords the dinuclear phosphido-bridged complex [{Pd(mu-PPh(2))(C6F5)(HPPh(2))}(2)]. All complexes have been characterized by spectroscopic methods (IR and H-1, F-19 and P-31{H-1}NMR) and the molecular structure of [Pd(C6F5)(OOCPh)(bipy)]. CHCl3 (12) has been determined by X-ray diffraction methods.

  DOI：

  10.1016/0022-328x(95)05446-v