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Substrate selectivity and orientation in aromatic substitution by molecular fluorine

Journal Article · · J. Am. Chem. Soc.; (United States)
DOI:https://doi.org/10.1021/ja00479a079· OSTI ID:6650602

Preliminary results on this study, performed at low temperatures, in the dark, at nearly infinite F/sub 2/ dilution, and at substrate conversions approaching zero are reported. The relative reactivity of the substrates tested (nitrobenzene << benzene), (toluene << anisole), and the substituent orientations observed (predominately meta in nitrobenzene and ortho-para in toluene and anisole), characterizes the aromatic halogenations by elemental fluorine as a typical highly unselective electrophilic substitution. Fluorine selectivity appears to undergo a regular, modest increase with decreasing temperature, and an appreciable decrease when the reaction occurs in a more polar solvent. A plausible mechanism involving the electrophilic attack of a polarized fluorine molecule on the aromatic ring is suggested, but a detailed mechanism must await the results of further investigation.

Research Organization:
Brookhaven National Lab., Upton, NY
OSTI ID:
6650602
Journal Information:
J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 100:11; ISSN JACSA
Country of Publication:
United States
Language:
English