ChemicalBook--->CAS DataBase List--->64096-87-3

64096-87-3

64096-87-3 Structure

64096-87-3 Structure
IdentificationBack Directory
[Name]

1,1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid
[CAS]

64096-87-3
[Synonyms]

1,1-Dioxo-tetrahydrothiop...
1,1-Dioxo-1lambda(6)-thiane-4-carboxylicacid
1,1-Dioxohexahydrothiopyran-4-carboxylic acid
1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid
1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid
Tetrahydrothiopyran-4-carboxylic acid 1,1-dioxide
1,1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid
tetrahydro-thiopyrane-4-carboxylic acid 1,1-dioxide
1,1-dioxo-hexahydro-1λ6-thiopyran-4-carboxylic acid
2H-Thiopyran-4-carboxylic acid, tetrahydro-, 1,1-dioxide
[EINECS(EC#)]

815-471-5
[Molecular Formula]

C6H10O4S
[MDL Number]

MFCD03102802
[MOL File]

64096-87-3.mol
[Molecular Weight]

178.21
Chemical PropertiesBack Directory
[Melting point ]

195-196℃ (acetone ligroine )
[Boiling point ]

456.6±38.0 °C(Predicted)
[density ]

1.422±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

4.05±0.20(Predicted)
[color ]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid(64096-87-3)1HNMR
1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid(64096-87-3)FT-IR
Hazard InformationBack Directory
[Synthesis]

3,3-Dimethyl- 2, 4-dioxa-9-thiaspiro[5.5]undecane-1,5-dione-9, 9-dioxide 1 (20.0 g, 76.3 mmol) and then 6 N hydrochloric acid (60 mL) and Antifoam 204 (200 mg, 1 wt % relative to 1) were charged to a 250-mL, three-neck round-bottom flask, equipped with a mechanical stirrer and a thermocouple. The reaction was then heated to reflux, and the distillate was collected until the internal temperature reached 100 eC; after that, the reaction was allowed to reflux for an additional 8 hours or until LC/MS showed a complete conversion of 1 to 2. The reaction was then cooled to room temperature and held for ~12 h when the product crystallized from the solution. The slurry was cooled to 0 °C for 1 h and then filtered. The cake was dried in a vacuum oven at 60 eC, with nitrogen bleed, overnight to give the product as a white, crystalline solid 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid (8.84 g, 49.6 mmol, 65% yield.
1,1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid
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