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187235-08-1

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187235-08-1 Structure

187235-08-1 Structure
IdentificationBack Directory
[Name]

(S)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL
[CAS]

187235-08-1
[Synonyms]

(6S)-2-nitro-5H,6H,7H-imidazo[2,1-b][1,3]oxazin-6-ol
(S)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
（s）-2-nitro-6，7-dihydro-5H-imidazole[2,1-B][1,3]oxazin-6--ol
5H-Imidazo[2,1-b][1,3]oxazin-6-ol, 6,7-dihydro-2-nitro-, (6S)-
[Molecular Formula]

C6H7N3O4
[MDL Number]

MFCD08436173
[MOL File]

187235-08-1.mol
[Molecular Weight]

185.14
Chemical PropertiesBack Directory
[Boiling point ]

446.2±55.0 °C(Predicted)
[density ]

1.91±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform, DCM, Methanol
[form ]

Solid
[pka]

13.21±0.20(Predicted)
[color ]

White
[InChI]

InChI=1S/C6H7N3O4/c10-4-1-8-2-5(9(11)12)7-6(8)13-3-4/h2,4,10H,1,3H2/t4-/m0/s1
[InChIKey]

HMFPMGBWSFUHEN-BYPYZUCNSA-N
[SMILES]

O1C[C@@H](O)CN2C=C([N+]([O-])=O)N=C12
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P261-P280-P305+P351+P338-P304+P340
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

(S)-(-)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol is an intermediate in the synthesis of (S)-PA 824 (P122500), a novel anti-tuberculosis drug.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZIN-6-OL (187235-08-1)1HNMR
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