trans-EtO2C-C[PdI(PPh3)2]=CHPh | 827007-93-2

• 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: trans-EtO2C-C[PdI(PPh3)2]=CHPh
• CAS: 827007-93-2；825600-93-9
• 化学式: C₄₇H₄₁IO₂P₂Pd
• 分子量: 933.113
• InChiKey: GDRGFRFCDXAMTP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  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：

  trans-EtO2C-C[PdI(PPh3)2]=CHPh 、 丙炔酸乙酯 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Mechanism of the carbopalladation of alkynes by aryl-palladium complexes

  摘要：

  The reaction between trans-PhPdI(PPh3)(2) and EtO2C-CdropCH has been investigated. This carbopalladation step involved in palladiurn-catalyzed multicomponent reactions with alkynes gives the unusual trans-adduct EtO2C-C(PdIL2)=CHPh 1 as the major complex formed by isomerization of the primary cis-adduct EtO2C-C(PdIL2)=CHPh 2. The carbopalladation was regiospecific. A multicarbopalladation was also observed by successive carbopalladation of EtO2C-CdropCH by the vinyl-palladium complexes themselves generated in carbopalladation steps, leading to cationic complexes. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.05.032
• 作为产物：
  描述：

  丙炔酸乙酯 、 iodophenylbis(triphenylphosphine)palladium 以 氯仿 为溶剂， 生成 trans-EtO2C-C[PdI(PPh3)2]=CHPh 、 cis-EtO₂C-C[PdI(PPh₃)2]=CHPh
  参考文献：
  名称：

  Mechanism of the carbopalladation of alkynes by aryl-palladium complexes

  摘要：

  The reaction between trans-PhPdI(PPh3)(2) and EtO2C-CdropCH has been investigated. This carbopalladation step involved in palladiurn-catalyzed multicomponent reactions with alkynes gives the unusual trans-adduct EtO2C-C(PdIL2)=CHPh 1 as the major complex formed by isomerization of the primary cis-adduct EtO2C-C(PdIL2)=CHPh 2. The carbopalladation was regiospecific. A multicarbopalladation was also observed by successive carbopalladation of EtO2C-CdropCH by the vinyl-palladium complexes themselves generated in carbopalladation steps, leading to cationic complexes. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.05.032