(4-methoxyphenyl)Pd(P(4-(trifluoromethyl)phenyl)3)2I | 180891-58-1

• 英文名称: (4-methoxyphenyl)Pd(P(4-(trifluoromethyl)phenyl)3)2I
• 英文别名: iodopalladium(1+);methoxybenzene;tris[4-(trifluoromethyl)phenyl]phosphane
• CAS: 180891-58-1
• 化学式: C₄₉H₃₁F₁₈IOP₂Pd
• 分子量: 1273.03
• InChiKey: YZKBMDFVDIDQPI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (4-methoxyphenyl)Pd(P(4-(trifluoromethyl)phenyl)3)2I 以 氘代氯仿 为溶剂， 生成 Pd[I(C₆H₄(OCH₃))(P(C₆H₄(CF₃))3)2]
  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：

  allyl(cyclopentadiene)palladium(II) 、 4-碘苯甲醚 、 三(4-三氟甲苯基)膦 以 二氯甲烷 为溶剂， 以77%的产率得到(4-methoxyphenyl)Pd(P(4-(trifluoromethyl)phenyl)3)2I
  参考文献：
  名称：

  合成ArPdL 2 I（L =叔膦）配合物的新方法

  摘要：

  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）。

  DOI：

  10.1021/om9602567