[(o-bis(o-anisyl)phosphinoferrocene sulfonate)Pd(methyl)(pyridine)] | 1334528-48-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [(o-bis(o-anisyl)phosphinoferrocene sulfonate)Pd(methyl)(pyridine)]
• 英文别名: [(CpFe(C5H3(P(o-C6H4OMe)2)SO3))Pd(Me)(Py)]；5-bis(2-methoxyphenyl)phosphanylcyclopenta-1,3-diene-1-sulfonate;carbanide;cyclopenta-1,3-diene;iron(2+);palladium(2+);pyridine
• CAS: 1334528-48-1
• 化学式: C₃₀H₃₀FeNO₅PPdS
• 分子量: 709.879
• InChiKey: HVRAPMLUSQZXES-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.02
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  96.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  吡啶 、 (N,N,N',N'-tetramethylethylenediamine)dimethylpalladium(II) 、 o-bis(o-anisyl)phosphinoferrocene sulfonic acid 以 四氢呋喃 为溶剂， 以38%的产率得到[(o-bis(o-anisyl)phosphinoferrocene sulfonate)Pd(methyl)(pyridine)]
  参考文献：
  名称：

  o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene–Carbon Monoxide Copolymerization

  摘要：

  A series of ferrocene-derived o-diarylphosphino/sulfonate ligands were prepared. Treatment of the o-diphenylphosphinoferrocene sulfonic acid (2a) with (allyl)PdCl dimer and sodium carbonate as the base gave the corresponding chelate (Fc-O,P)Pd(pi-allyl) complex 7a (as a mixture of two isomers). In the presence of pyridine instead of Na2CO3 the analogous reaction yielded the square-planar (Fc-O,P)Pd(Cl)pyridine complex 8a. Both systems were characterized by X-ray diffraction. Reaction of the series of three differently -P(aryl)(2)-substituted (Fc-O,P)H ligands with PdMe2(tmeda) gave the respective (Fc-O,P)PdMe(pyridine) derivatives (11). All three examples 11a,b,c and one precursor complex, [(Fc-O,P)PdMe](2)(tmeda) (10a), were characterized by X-ray diffraction. The ligand system o-bis-(o-anisyl)phosphinoferrocene sulfonic acid (2b) formed an active catalyst for ethene/CO nonalternating copolymerization upon treatment with Pd(OAc)(2) in methanol. Up to ca. 25% extra ethene incorporation was obtained at an ethene/CO partial pressure ratio of ca. 10:1. This catalyst system and its equivalent derived from the preformed (Fc-O,P)PdMe(pyridine) precursor complex (11b) showed reasonable catalyst activities under these conditions.

  DOI：

  10.1021/om200628r