| Identification | Back Directory | [Name]
5-BROMO-2-HYDROXY-3-NITRO-4-PICOLINE | [CAS]
228410-90-0 | [Synonyms]
5-BROMO-2-HYDROXY-3-NITRO-4-PICOLINE
5-BROMO-4-METHYL-3-NITROPYRIDIN-2-OL
2-Hydroxy-3-Nitro-5-Bromo-4-Picoline
5-BROMO-2-HYDROXY-3-NITRO-4-PICOLINE-3A
5-bromo-4-methyl-3-nitro-1H-pyridin-2-one
5-BROMO-4-METHYL-3-NITRO-2(1H)-PYRIDINONE
5-BroMo-4-Methyl-3-nitropyridin-2(1H)-one
5-BROMO-2-HYDROXY-4-METHYL-3-NITROPYRIDINE
5-Bromo-4-methyl-3-nitro-2-hydroxypyridine
2-Hydroxy-3-nitro-4-methyl-5-bromopyridine
2(1H)-Pyridinone, 5-broMo-4-Methyl-3-nitro-
5-Bromo-2-hydroxy-4-methyl-3-nitropyridine 98% | [Molecular Formula]
C6H5BrN2O3 | [MDL Number]
MFCD06659520 | [MOL File]
228410-90-0.mol | [Molecular Weight]
233.02 |
| Chemical Properties | Back Directory | [Melting point ]
240-243 | [Boiling point ]
298.2±40.0 °C(Predicted) | [density ]
1.84±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
6.34±0.10(Predicted) | [color ]
yellow | [InChI]
InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10) | [InChIKey]
QXPNHVCGSASGIX-UHFFFAOYSA-N | [SMILES]
C1(=O)NC=C(Br)C(C)=C1[N+]([O-])=O |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 5-bromo-4-methyl-3-nitro-2(1H)-pyridinone from 2-amino-5-bromo-3-nitro-4-methylpyridine: to a solution of 5-bromo-4-methyl-3-nitro-pyridin-2-amine (28 g, 121 mmol) in water (900 ml) was slowly added concentrated sulfuric acid (28 ml) at 0 °C, followed by batchwise addition of sodium nitrite (20.91 g, 303 mmol). Water (100 ml) was added dropwise to control the reaction temperature. The reaction mixture was stirred at 0°C and then slowly warmed up to room temperature and kept for 2 hours. Subsequently, the reaction mixture was heated to 100 °C and maintained for 4 hours. Upon completion of the reaction, it was cooled to room temperature, the precipitated solid was collected by filtration, washed with water and dried to afford the target product 5-bromo-4-methyl-3-nitro-2(1H)-pyridinone as a light yellow solid (24.0 g, 85% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 12.97 (s, 1H), 8.01 (s, 1H), 2.21 (s, 3H); LC/MS analysis showed m/z 233 ([M+H]+). | [References]
[1] Patent: WO2014/125408, 2014, A2. Location in patent: Page/Page column 38 |
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