HF-mediated equilibrium between fluorinated ketones and the corresponding α-fluoroalcohols

We have successfully obtained the first unambiguous spectroscopic proof of the structure of heptafluoropropan-2-ol by 13C NMR, which has been assumed from early 70s but without unequivocal evidence. Equilibrating relationship between fluorinated ketones and the corresponding hydrates as well as α-fluoroalcohols in anhydrous HF was at least qualitatively supported by our ab initio computation, and moreover, anhydrous HF as a convenient solvent was found to offer an effective new route for production of 1,1,1,3,3,3-hexafluoropropan-2-ol in industrial scales.

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