| Identification | More | [Name]
Tetrahydrothiopyran-4-one | [CAS]
1072-72-6 | [Synonyms]
4-OXOTHIANE
4-thiacyclohexanone
TETRAHYDRO-2H-THIOPYRAN-4-ONE
TETRAHYDRO-4H-THIOPYRAN-4-ONE
TETRAHYDROTHIOPYRAN-4-ONE
THIAN-4-ONE
1-Thiacyclohexan-4-one
2,3,5,6-Tetrahydro-4-thiopyranone
4H-tetrahydrothiopyran-4-one
4-Oxotetrahydrothiopyran
Penthianone
Tetrahydro-1,4-thiapyrone
Tetrahydro-1-thio-4-pyrone
Tetrahydro-1-thio-gamma-pyrone
Tetrahydro-4H-thiapyran-4-one
Tetrahydro-4-thiopyrone
Tetrahydrothia-4-pyranone
Tetrahydrothiopyranone
4H-Thiopyran-4-one, tetrahydro-
THIAN-3-ONEOXIME | [EINECS(EC#)]
214-015-7 | [Molecular Formula]
C5H8OS | [MDL Number]
MFCD00006660 | [Molecular Weight]
116.18 | [MOL File]
1072-72-6.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO PALE YELLOW CRYSTALLINE SOLID | [Melting point ]
60-64 °C (lit.) | [Boiling point ]
140.82°C (estimate) | [density ]
1.050 (estimate) | [refractive index ]
1.5100 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Acetonitrile (Slightly), Chloroform (Slightly) | [form ]
Crystalline Solid | [color ]
White to pale yellow | [BRN ]
106464 | [InChI]
InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2 | [InChIKey]
OVRJVKCZJCNSOW-UHFFFAOYSA-N | [SMILES]
C1SCCC(=O)C1 | [LogP]
0.490 (est) | [CAS DataBase Reference]
1072-72-6(CAS DataBase Reference) | [NIST Chemistry Reference]
4H-Thiopyran-4-one, tetrahydro-(1072-72-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P264-P280i-P305+P351+P338-P337+P313 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO PALE YELLOW CRYSTALLINE SOLID | [Uses]
Tetrahydro-?4H-?thiopyran-?4-?one is a cyclic carbonyl compound used as a reactant in the stereoselective preparation of [aryl(nitro)ethyl] carbonyl compounds via asymmetric Michael addition to nitroolefins catalyzed by chiral pyrrolidine-pyridine conjugate bases. | [General Description]
The diastereoselectivity of the aldol reaction of tetrahydro-4H-thiopyran-4-one has been studied. | [Purification Methods]
Purify it by recrystallisation from diisopropyl ether or pet ether and dry it in air. If too impure, then dissolve it in Et2O, wash with aqueous NaHCO3, then H2O, dry (MgSO4), filter, evaporate and the residue is recrystallised as before. [Cardwell J Chem Soc 715 1949.] The oxime can be recrystallised from CHCl3/pet ether (at -20o) and has m 84-85o [Barkenbus et al. J Org Chem 20 871 1955]. The 2,4-dinitrophenylhydrazone has m 186o (from EtOAc) [Barkenbus et al. J Org Chem 16 232 1951]. The S-dioxide is recrystallised from AcOH, m 173-174o [Fehnel & Carmack J Am Chem Soc 70 1813 1948, Beilstein 17 II 287, 17 III/IV 4172, 17/1 V 21]. |
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