1346687-91-9

Basic information

• Product Name: [PdBr(C₆F₄CHCHC₅H₄N)(PPh₃)2]
• CAS NO: 1346687-91-9
• Molecular Weight: 963.097
• Mol File: 1346687-91-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [PdBr(C₆F₄CHCHC₅H₄N)(PPh₃)2](CAS DataBase Reference)
• NIST Chemistry Reference: [PdBr(C₆F₄CHCHC₅H₄N)(PPh₃)2](1346687-91-9)
• EPA Substance Registry System: [PdBr(C₆F₄CHCHC₅H₄N)(PPh₃)2](1346687-91-9)

Safety Data

• Hazardous Substances Data: 1346687-91-9(Hazardous Substances Data)

Upstream product

• 14221-01-3 tetrakis(triphenylphosphine) palladium⁽⁰⁾ 
• 862672-29-5 trans-NC₅H₄CHCHC₆F₄Br 

Relevant articles and documents

Palladium-catalyzed cross-coupling reactions with fluorinated substrates: Mechanistic insights into the undesired hydrodehalogenation of aryl halides

We report here that the undesired hydrodehalogenation in cross-coupling reactions with fluorinated substrates involves water as a possible hydrogen source. Moreover, the product distribution (hydrodehalogenation vs carbon-carbon coupling) can be controlled by varying the phosphine substituents. Significant hydrodehalogenation occurs prior to the formation of ArF-Pd(II)-Br complexes. DFT calculations were used to evaluate a direct hydrodehalogenation route with a phosphine and water. These findings provide new mechanistic insight into aryl-Br bond activation with fluorinated substrates and selective arene functionalization.