cis-[Pd(3,5-dichloro-2,4,6-trifluorophenyl)Me(PPh₃)₂] | 934838-97-8

• 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: cis-[Pd(3,5-dichloro-2,4,6-trifluorophenyl)Me(PPh₃)₂]
• 英文别名: cis-[PdRfMe(PPh₃)₂]；cis-[Pd(C₆Cl₂F₃)Me(PPh₃)₂]
• CAS: 934838-97-8；934827-12-0
• 化学式: C₄₃H₃₃Cl₂F₃P₂Pd
• 分子量: 846.004
• InChiKey: HDHSFGLUKLEKCE-UHFFFAOYSA-N

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：

  cis-[Pd(3,5-dichloro-2,4,6-trifluorophenyl)Me(PPh₃)₂] 以 四氢呋喃 为溶剂， 生成 trans-[Pd(C₆Cl₂F₃)Me(PPh₃)₂]
  参考文献：
  名称：

  Insights into the Mechanism of the Negishi Reaction:  ZnRX versus ZnR₂ Reagents

  摘要：

  The observation that their transmetalations with trans-[PdRfCl(PPh3)(2)] (Rf = fluoroaryl) give stereoselectively a different isomer of [PdRfMe(PPh3)(2)] suggests that Negishi reactions with ZnRX or ZnR2 could show very different evolutions.

  DOI：

  10.1021/ja070235b
• 作为产物：
  描述：

  trans-[Pd(C₆Cl₂F₃)Me(PPh₃)₂] 在 氯化锌四氢呋喃配合物（1：2） 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 cis-[Pd(3,5-dichloro-2,4,6-trifluorophenyl)Me(PPh₃)₂]
  参考文献：
  名称：

  Experimental study of the [ZnCl2(THF)2] catalyzed cis/trans-isomerization of [Pd(C6Cl2F3)Me(PPh3)2] and of the transmetalation of trans-[PdCl(C6Cl2F3)(PPh3)2] with [ZnMeCl(THF)2]

  摘要：

  DOI：

  10.1016/j.ica.2020.120206

文献信息

• The Negishi Catalysis: Full Study of the Complications in the Transmetalation Step and Consequences for the Coupling Products
  作者：Juan del Pozo、Gorka Salas、Rosana Álvarez、Juan A. Casares、Pablo Espinet

  DOI：10.1021/acs.organomet.6b00660

  日期：2016.10.24

  In addition to the expected products, trans- and cis-[PdRfMe(PPh3)(2)], the transmetalation between ZnMe2 and trans-[PdRfCl(PPh3)(2)] yields [PdMeCl(PPh3)(2)] and ZnRfMe as the result of secondary transmetalation processes. ZnRfMe is also formed by reaction of trans- and cis-[PdRfMe(PPh3)(2)] with ZnMe2. The different competitive reaction mechanisms that participate in the transmetalations have been studied by experiments and by DFT calculations. The relative contribution of each reaction pathway in the formation of the unwanted product ZnRfMe has been measured. The effect of excess ligand (PPh3) on the several transmetalations has been established.