(phenyl)Pd(P(4-methylphenyl)3)2I | 60764-92-3

• 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: (phenyl)Pd(P(4-methylphenyl)3)2I
• 英文别名: Pd(Ph)I(P(p-MeC6H4)3)2；benzene;iodopalladium(1+);tris(4-methylphenyl)phosphane
• CAS: 60764-92-3
• 化学式: C₄₈H₄₇IP₂Pd
• 分子量: 919.173
• InChiKey: ICCOBUCYQCPWQC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (phenyl)Pd(P(4-methylphenyl)3)2I 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Mechanistic Studies on the Aryl−Aryl Interchange Reaction of ArPdL₂I (L = Triarylphosphine) Complexes

  摘要：

  The aryl-aryl interchange reaction of ArPdL2I complex Im was found to follow pseudo-first-order kinetics. A marked inhibition in the presence of excess phosphine and/or excess iodide was observed, suggesting that a dissociative pathway was involved, contrary to the analogous alkyl-aryl interchange reaction studied previously. Phosphine flooding experiments could not be performed due to a competing phosphonium salt formation reaction that occurred in the presence of excess phosphine. A deuterium labeling experiment indicated that the interchange reaction proceeded via the reductive elimination to form the phosphonium salt, suggesting that excess phosphine was acting as a trap for intermediate palladium(0) species preventing the generation of the interchanged palladium(II) complex. Substituent effect studies of the interchange reaction indicated that it was inhibited by electron-withdrawing groups on both the phosphine and palladium-bound aryl groups and by increased steric bulk on both the phosphine and palladium-bound aryl groups. Under catalytic conditions, the distribution of phosphines formed from the aryl-aryl interchange during palladium-mediated cross-coupling reactions could be modeled by statistics. Various strategies for eliminating the formation of byproducts caused by the interchange during cross-coupling reactions were screened and optimized.

  DOI：

  10.1021/ja972554g
• 作为产物：
  描述：

  碘苯 、 三对苯甲基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 (phenyl)Pd(P(4-methylphenyl)3)2I
  参考文献：
  名称：

  Amatore, Christian; Jutand, Anny; Meyer, Gilbert, Inorganica Chimica Acta, 1998, vol. 273, # 1-2, p. 76 - 84

  摘要：

  DOI：

文献信息

• New Methods for the Synthesis of ArPdL₂I (L = Tertiary Phosphine) Complexes
  作者：Thomas I. Wallow、Felix E. Goodson、Bruce M. Novak

  DOI：10.1021/om9602567

  日期：1996.8.20

  Organopalladium ArPdL2I (L = tertiary phosphine) complexes (1) can be synthesized in one step from the precursors Pd2(dba)3·C6H6 (2) (dba = t,t-dibenzylideneacetone) and (η3-allyl)PdCp (3) (Cp = η5-cyclopentadienide). Two advantages over previous synthetic methods are that this route requires only stoichiometric amounts of phosphine and that the desired complexes are easily isolated from reaction byproducts

  有机钯ArPdL 2 I（L =叔膦）配合物（1）可在从所述前体的Pd一个步骤中合成2（DBA）3 ·C 6 H ^ 6（2）（DBA =吨，吨-dibenzylideneacetone）和（η 3 -烯丙基）PDCP（3）（CP =η 5-环戊二烯）。与以前的合成方法相比，有两个优点是该路线仅需要化学计量的膦，而且所需的络合物很容易从反应副产物中分离出来。研究了这些反应的范围和一般性，并讨论了使用这种方法合成许多新的有机和水溶性配合物。改进了水溶性配体P（C 6 H 5）2（4-SO 3 KC 6 H 4）（5）和As（C 6 H 5）2（4-SO 3 KC 6 H 4）（6）的合成）。