88951-01-3

Basic information

• Product Name: Benzoic acid, 4-(undecafluoropentyl)-, methyl ester
• CAS NO: 88951-01-3
• Molecular Formula: C13H7F11O2
• Molecular Weight: 404.18
• Mol File: 88951-01-3.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(undecafluoropentyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(undecafluoropentyl)-, methyl ester(88951-01-3)
• EPA Substance Registry System: Benzoic acid, 4-(undecafluoropentyl)-, methyl ester(88951-01-3)

Safety Data

• Hazardous Substances Data: 88951-01-3(Hazardous Substances Data)

Upstream product

• 619-44-3 methyl 4-iodobenzoate 
• 307-24-4 undecafluorohexanoic acid 
• 88950-98-5 4-fluoropentyl-toluene 
• 647-60-9 2,2,3,3,4,4,5,5,5-nonafluoro-1-( p-tolyl)pentan-1-one 
• 106-38-7 para-bromotoluene 
• 2706-90-3 Perfluoropentanoic acid 
• 67-56-1 methanol 
• 25533-93-1 4-Perfluorpentyl-benzoesaeure 

Downstream Products

• 88951-15-9 4-Undecafluoropentyl-cyclohexanecarboxylic acid methyl ester 
• 88951-15-9 4-Undecafluoropentyl-cyclohexanecarboxylic acid methyl ester 

Relevant articles and documents

A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF)

This article describes the invention of a class of effective reagents [(phen)2Cu](O2CRF) (1) for the decarboxylative perfluoroalkylation of aryl and heteroaryl halides. Treatment of copper tert-butyloxide with phenanthroline ligands, with subsequent addition of perfluorocarboxylic acids afforded air-stable copper(i) perfluorocarboxylato complexes 1. These complexes reacted with a variety of aryl and heteroaryl halides to form perfluoroalkyl(hetero)arenes in moderate to high yields. Computational studies suggested that the coordination of the second phen ligand may reduce the energy barrier for the decarboxylation of perfluorocarboxylate to facilitate perfluoroalkylation.