| Identification | Back Directory | [Name]
1,1-Dioxo-tetrahydro-thiopyran-4-one | [CAS]
17396-35-9 | [Synonyms]
1,1-dioxo-4-thianone
1,1-dioxothian-4-one
1,1-diketothian-4-one
4-Oxothiane 1,1-Dioxide
4-Thiacyclohexanone dioxide
4-Tetrahydrothiopyranone 1,1-dioxide
1,1-Dioxo-tetrahydro-thiopyran-4-one
Tetrahydrothiopyran-4-one 1,1-dioxide
Tetrahydrothiopyran-4-one S,S-dioxide
tetrahydro-1λ6-thiopyran-1,1,4-trione
1,1-Dioxo-tetrahydro-2H-thiopyran-4-one
4-Oxotetrahydro-2H-thiopyran 1,1-dioxide
1,1-Dioxo-tetrahydro-1l6-thiopyran-4-one
etrahydro-4H-thiopyran-4-one 1,1-dioxide
Tetrahydro-4-oxo-4H-thiopyran 1,1-dioxide
dihydro-2H-thiopyran-4(3H)-one 1,1-dioxide
4H-thiopyran-4-one, tetrahydro-, 1,1-dioxide
1,1-DIOXO-TETRAHYDRO-1LAMBDA*6*-THIOPYRAN-4-ONE
1,1-Dioxo-tetrahydro-thiopyran-4-one ISO 9001：2015 REACH | [EINECS(EC#)]
214-015-7 | [Molecular Formula]
C5H8O3S | [MDL Number]
MFCD00460698 | [MOL File]
17396-35-9.mol | [Molecular Weight]
148.18 |
| Chemical Properties | Back Directory | [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 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H317 | [Precautionary statements ]
P280 | [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 |
| Hazard Information | Back Directory | [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 |
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