[(cis-1,2-bis(diphenylphosphino)ethylene)2Pd(phenyl)] triflate | 221449-03-2

• 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: [(cis-1,2-bis(diphenylphosphino)ethylene)2Pd(phenyl)] triflate
• CAS: 221449-03-2
• 化学式: CF₃O₃S*C₃₂H₂₇P₂Pd
• 分子量: 729.004
• InChiKey: KQMNUEWSIIOYKG-FAIYXUOWSA-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

• 作为产物：
  描述：

  (cis-1,2-bis(diphenylphosphino)ethylene)2Pd(phenyl)I 、 silver trifluoromethanesulfonate 以 N,N-二甲基甲酰胺-d7 为溶剂， 生成 [(cis-1,2-bis(diphenylphosphino)ethylene)2Pd(phenyl)] triflate
  参考文献：
  名称：

  An Exploratory Study of Regiocontrol in the Heck Type Reaction. Influence of Solvent Polarity and Bisphosphine Ligands

  摘要：

  The regiochemistry of the addition of arylpalladium species to styrene and propene has been studied. It was found that for the reaction of P2Pd(Ph)X the counterion X, the polarity of the solvent, and the structure of the bisphosphine ligand P-2 all have an influence. Using bis(diphenylphosphino)ethane as ligand, triflate as counterion, and a moderately polar solvent mixture, 98% selectivity for addition of the phenyl group to the beta-carbon of styrene could be obtained. Finally, using low-temperature NMR, some of the palladium intermediates in the addition could be observed, specifically those where the palladium species is stabilized by eta(3)-allylic interaction with a phenyl group.

  DOI：

  10.1021/om9803265