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| | 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid Basic information |
| Product Name: | 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid | | Synonyms: | 1,1-Dioxo-hexahydro-1l6-thiopyran-4-carboxylic acid;tetrahydro-thiopyrane-4-carboxylic acid 1,1-dioxide;1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid;1,1-Dioxo-tetrahydrothiop...;Tetrahydrothiopyran-4-carboxylic acid 1,1-dioxide;1,1-Dioxo-1lambda(6)-thiane-4-carboxylicacid;1,1-Dioxohexahydrothiopyran-4-carboxylic acid;1,1-dioxo-hexahydro-1λ6-thiopyran-4-carboxylic acid | | CAS: | 64096-87-3 | | MF: | C6H10O4S | | MW: | 178.21 | | EINECS: | 815-471-5 | | Product Categories: | | | Mol File: | 64096-87-3.mol |  |
| | 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid Chemical Properties |
| 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 | | pka | 4.05±0.20(Predicted) | | form | powder | | color | White to off-white | | InChI | InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8) | | InChIKey | RPJRJUVGGDVVDF-UHFFFAOYSA-N | | SMILES | C1S(=O)(=O)CCC(C(O)=O)C1 |
| | 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid Usage And Synthesis |
| 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.
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| | 1,1-Dioxo-tetrahydrothiopyran-4-carboxylic acid Preparation Products And Raw materials |
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