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ChemicalBook--->CAS DataBase List--->76176-87-9

76176-87-9

76176-87-9 Structure

76176-87-9 Structure
IdentificationBack Directory
[Name]

ThioMorpholine-1-oxide HCl
[CAS]

76176-87-9
[Synonyms]

EOS-61421
ThioMorpholine-1-oxide HCl
1-Oxide thioMorpholine, HCl
1-Oxothiomorpholine hydrochloride
1,4-thiazane-1-oxide hydrochloride
1-thiomorpholin-1-one hydrochloride
Thiomorpholine-1-oxide hydrochloride
1lambda4-thiomorpholin-1-one hydrochloride
[EINECS(EC#)]

616-300-5
[Molecular Formula]

C4H10ClNOS
[MDL Number]

MFCD09026928
[MOL File]

76176-87-9.mol
[Molecular Weight]

155.646
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

ThioMorpholine-1-oxide HCl(76176-87-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl thiomorpholine-4-carboxylate 1-oxide

278788-74-2

ThioMorpholine-1-oxide HCl

76176-87-9

Step C: Preparation of S-oxo-4-thiopiperidine hydrochloride; N-tert-butoxycarbonyl-5-oxo-4-thiopiperidine (20.0 g, 91.8 mmol) was dissolved in an ether solution (1.3 L) of 2N HCl and mechanically stirred for 18 hours at room temperature. After completion of the reaction, the suspension was filtered and the solid was collected. The solids were ground with hot isopropanol (300 mL) and subsequently cooled to room temperature and filtered again. The solids were washed sequentially with isopropanol (2 x 50 mL) and ether (2 x 50 mL). Finally, the product was dried under high vacuum to afford S-oxo-4-thiopiperidine hydrochloride (10.0 g, 70% yield) in beige powder form. The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 9.64 (br s, 2H), 3.50 (m, 2H), 3.33 (m, 2H), 3.18 (m, 2H), 3.06 (m, 2H).

[References]

[1] Patent: US2007/197537, 2007, A1. Location in patent: Page/Page column 59-60
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