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| | 1,1-Dioxo-tetrahydro-thiopyran-4-one Basic information |
| Product Name: | 1,1-Dioxo-tetrahydro-thiopyran-4-one | | Synonyms: | 1,1-Dioxo-tetrahydro-thiopyran-4-one;1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPYRAN-4-ONE;4-Oxotetrahydro-2H-thiopyran 1,1-dioxide;Tetrahydro-4-oxo-4H-thiopyran 1,1-dioxide;4-Tetrahydrothiopyranone 1,1-dioxide;1,1-Dioxo-tetrahydro-2H-thiopyran-4-one;tetrahydro-1λ6-thiopyran-1,1,4-trione;1,1-dioxo-4-thianone | | CAS: | 17396-35-9 | | MF: | C5H8O3S | | MW: | 148.18 | | EINECS: | 214-015-7 | | Product Categories: | | | Mol File: | 17396-35-9.mol |  |
| | 1,1-Dioxo-tetrahydro-thiopyran-4-one Chemical Properties |
| Melting point | 170.0 to 174.0 °C | | Boiling point | 385.2±35.0 °C(Predicted) | | density | 1.352±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | form | powder to crystal | | color | White to Almost white | | λmax | 290nm(EtOH)(lit.) | | InChI | InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2 | | InChIKey | XFMQGQAAHOGFQS-UHFFFAOYSA-N | | SMILES | C1S(=O)(=O)CCC(=O)C1 |
| Risk Statements | 43 | | Safety Statements | 36/37 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2932990090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Skin Sens. 1 |
| | 1,1-Dioxo-tetrahydro-thiopyran-4-one Usage And Synthesis |
| Synthesis | The general procedure for the synthesis of tetrahydrothiopyran-4-one 1,1-dioxide from tetrahydrothiopyran-4-one was as follows: in Example 22, to a stirred solution of tetrahydrothiopyran-4-one (5.30 g, 43.1 mmol, Aldrich) in 50 mL of ethyl acetate, 32% peracetic acid (24 g, 110 mmol) was added dropwise at a slow rate, taking care to avoid refluxing. After completion of the dropwise addition, the reaction mixture was cooled to room temperature and the solid was collected by filtration to afford 1,1-dioxo-tetrahydro-thiopyran-4-one as a white solid (5.69 g, 89% yield). | | References | [1] Journal of Organic Chemistry, 1995, vol. 60, # 6, p. 1665 - 1673
[2] Patent: US2007/129416, 2007, A1. Location in patent: Page/Page column 19/1
[3] Patent: EP2261213, 2010, A1. Location in patent: Page/Page column 60
[4] Journal of Organic Chemistry, 1998, vol. 63, # 24, p. 8952 - 8956
[5] European Journal of Medicinal Chemistry, 1999, vol. 34, # 2, p. 125 - 135 |
| | 1,1-Dioxo-tetrahydro-thiopyran-4-one Preparation Products And Raw materials |
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