4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride

Reference Example 38; tetrahydro-2H-thiopyran-4-amine 1, 1-dioxide hydrochloride; tert-Butyl (1, 1-dioxidotetrahydro-2H-thiopyran-4-yl)carbamate (3.14 g) obtained in Reference Example 37 was dissolved in ethyl acetate (110 mL) at 50°C, hydrogen chloride-ethyl acetate solution (4M, 30 mL) was added thereto, and the mixture was stirred at room temperature for 19 hr. The crystals were collected by filtration, washed with ethyl acetate, and dried under reduced pressure to give the title compound (2.39 g, yield 100percent) as white crystals. To a mixture of tert-butyl (1, 1-dioxidetetrahydrothiopyran-4-yl)carbamate (1.5 g) and ethyl acetate (10 mL) was added dropwise a 4N hydrochloric acid*ethyl acetate solution (3mL) with stirring under ice-cooling. After stirring at room temperature overnight, the precipitated crystals were collected by filtration and washed with ethyl acetate to give (1, 1-dioxidetetrahydrothiopyran-4-yl)amine hydrochloride as crystals (0.78 g, yield 95percent). Recrystallization from ethanol gave colorless prism crystals. melting point: 288-289°CPREPARATION P: (l, l-dioxo-hexahydro-6-thiopyran-4-yl)-amine hydrochloride[0416] To a 100 mL round bottom flask equipped for stirring was added benzyl-(l, l- dioxo-hexahydro-6-thiopyran-4-yl)-amine (500 mg, 2.089 mmol) and palladium on carbon (111 mg, 1.045 mmol) under nitrogen. Methanol (15 mL) and aqueous HCl (4N, 0.172 mL, 2.089 mmol) were added and the solution was stirred at 60

Molecular Weight:185.67
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:185.0277275
Monoisotopic Mass:185.0277275
Topological Polar Surface Area:68.5
Heavy Atom Count:10
Complexity:166
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes