Ajenjo, Javier; Klepetarova, Blanka; Greenhall, Martin; Bim, Daniel; Culka, Martin; Rulisek, Lubomir; Beier, Petr published the artcile< Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects>, Recommanded Product: 5-Chloro-2-methoxybenzenesulfonyl chloride, the main research area is pentafluorosulfanyl benzene preparation reaction mechanism radical; fluorine; pentafluorosulfanyl; radical reactions; reaction mechanisms; synthetic methods.
Direct fluorination of ortho-, meta- and para-substituted aromatic thiols and disulfides using elemental fluorine afforded substituted (pentafluorosulfanyl)benzenes ArSF5 [Ar = 4-FC6H4, 2-NCC6H4, 4-HOOCC6H4, etc.]. This work thus represented the first study of the scope and limitation of direct fluorination for the synthesis of new SF5-containing building blocks. Fluorinations in batch and flow modes were compared. A comprehensive computational study was carried out employing d. functional and wave function methods to elucidate the reaction mechanism of the transformation of ArSF3 into ArSF5. Eliminating various nonradical pathways, it was shown that the reaction proceeded by a radical mechanism, initiated by the attack of the F. on the ArSF3 moiety, propagated via an almost barrierless F2+ArSF4.→ArSF5+F. step and terminated by the ArSF4.+F.→ArSF5. Most of the calculated data were in very good agreement with exptl. observations concerning the ortho-substituent effect on the reaction rates and yields.
Chemistry – A European Journal published new progress about Aromatic compounds Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation) ((pentafluorosulfanyl)benzenes). 22952-32-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O3S, Recommanded Product: 5-Chloro-2-methoxybenzenesulfonyl chloride.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics