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5259-97-2

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5259-97-2 Structure

5259-97-2 Structure
IdentificationBack Directory
[Name]

1,3-Oxazinan-2-one
[CAS]

5259-97-2
[Synonyms]

1,3-Oxazinan-2-one
tetrahydro-2H-1,3-Oxazin-2-one
2H-1,3-Oxazin-2-one, tetrahydro-
1,3-oxazinan-2-one(SALTDATA: FREE)
[Molecular Formula]

C4H7NO2
[MDL Number]

MFCD11109147
[MOL File]

5259-97-2.mol
[Molecular Weight]

101.1
Chemical PropertiesBack Directory
[Melting point ]

77 °C
[Boiling point ]

130-135 °C(Press: 0.4 Torr)
[density ]

1.122±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

12.77±0.20(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C4H7NO2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)
[InChIKey]

OYELEBBISJGNHJ-UHFFFAOYSA-N
[SMILES]

O1CCCNC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

1,3-Oxazinan-2-one is a reactant used in the preparation of HIV integrase inhibitors active against raltegravir resistant strains.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 3, p. 84, 1966 DOI: 10.1002/jhet.5570030118
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Oxazinan-2-one(5259-97-2)1HNMR
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