[(pentamethylcyclopentadiene)(PMe3)Ir(TFA)2] | 528868-50-0

• 英文名称: [(pentamethylcyclopentadiene)(PMe3)Ir(TFA)2]
• 英文别名: [(pentamethylcyclopentadiene)(PMe₃)Ir(TFA)₂]；Cp*Ir(O2CCF3)2(PMe3)
• CAS: 528868-50-0
• 化学式: C₁₇H₂₄F₆IrO₄P
• 分子量: 629.559
• InChiKey: GVHADYAFGGGXHP-UHFFFAOYSA-L

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：

  pentamethylcyclopentadienyliridium(III) PMe3 dihydride 、 [(pentamethylcyclopentadiene)(PMe3)Ir(TFA)2] 以 氘代苯 为溶剂， 反应 72.0h， 生成 [(pentamethylcyclopentadiene)(PMe₃)IrH(TFA)]
  参考文献：
  名称：

  Transmetalation of Alkyl Ligands from Cp*(PMe₃)IrR¹R²to (cod)PtR³X

  摘要：

  Transmetalation of alkyl and carboxylate ligands between Cp*(PMe3)Ir complexes and d(8) Pt and Pd complexes is described. Studies on the scope and kinetics of this reaction support a mechanism in which carboxylate dissociation from the Pt or Pd center precedes alkyl transfer from Ir. Subsequent reaction of the resulting Pt or Pd alkyl complex enables functionalization of the hydrocarbyl ligands and suggests new opportunities for catalytic, nondirected C-C and C-H bond functionalization reactions.

  DOI：

  10.1021/om400289s
• 作为产物：
  描述：

  (pentamethylcyclopentadienyl)Ir(trimethylphosphane)Cl2 、 silver trifluoroacetate 以 二氯甲烷 为溶剂， 反应 1.0h， 以94%的产率得到[(pentamethylcyclopentadiene)(PMe3)Ir(TFA)2]
  参考文献：
  名称：

  Transmetalation of Alkyl Ligands from Cp*(PMe₃)IrR¹R²to (cod)PtR³X

  摘要：

  Transmetalation of alkyl and carboxylate ligands between Cp*(PMe3)Ir complexes and d(8) Pt and Pd complexes is described. Studies on the scope and kinetics of this reaction support a mechanism in which carboxylate dissociation from the Pt or Pd center precedes alkyl transfer from Ir. Subsequent reaction of the resulting Pt or Pd alkyl complex enables functionalization of the hydrocarbyl ligands and suggests new opportunities for catalytic, nondirected C-C and C-H bond functionalization reactions.

  DOI：

  10.1021/om400289s

文献信息

• Reactions of Iridium and Rhodium Complexes Containing η²-Benzyne, η²-Tetrafluorobenzyne, and η²-Trifluorobenzyne Ligands. Differential Rates of Arene Elimination by Protonation of Isomeric Fluoroaryl Complexes and Restricted Rotation of PMe₃ Ligands in <i>o</i><i>rtho-</i>Iodo and <i>o</i><i>rtho-</i>Bromoaryl Complexes
  作者：Russell P. Hughes、Roman B. Laritchev、Alex Williamson、Christopher D. Incarvito、Lev N. Zakharov、Arnold L. Rheingold

  DOI：10.1021/om030048w

  日期：2003.5.1

  Treatment of the tetrafluorobenzyne complex Cp*Ir(η2-C6F4)(PMe3) (1) with MeCO2H affords the tetrafluorophenyl complex Cp*Ir(2,3,4,5,-C6F4H)(PMe3)(O2CMe) (2), which, on treatment with NaBH4, affords the hydride complex Cp*Ir(2,3,4,5,-C6F4H)(PMe3)H (3). Treatment of 3 with n-BuLi affords the trifluorobenzyne complex Cp*Ir(3,4,5-C6F3H)(PMe3) (4). Treatment of 4 with MeCO2H gives a mixture of two protonation

  所述tetrafluorobenzyne复杂Cp的治疗*的Ir（η 2 -C 6 ˚F 4）（PME 3）（1）与梅科2 ħ，得到四氟复杂的Cp *铱（2,3,4,5-，-C 6 ˚F 4 ħ ）（PMe 3）（O 2 CMe）（2），经NaBH 4处理后，得到氢化物配合物Cp * Ir（2,3,4,5，-C 6 F 4 H）（PMe 3）H （3）。用正丁基锂处理3可得到三氟苯并恩配合物Cp * Ir（3,4,5-C 6 F 3H）（PMe 3）（4）。用MeCO 2 H处理4得到两种质子化产物的混合物Cp * Ir（2,3,4-C 6 F 3 H 2）（PMe 3）（O 2 CMe）（5）和Cp * Ir（3比例为8：1的（4,5-C 6 F 3 H 2）（PMe 3）（O 2 CMe）（6）。所述的治疗5 / 6与CF混合物3 CO 2 ħ得到1,2,3--C 6 ˚F 3 ħ 3和Cp