| Identification | More | [Name]
2-Hydroxy-4-methyl-3-nitropyridine | [CAS]
21901-18-8 | [Synonyms]
2(1H)-PYRIDINONE, 4-METHYL-3-NITRO-
2-HYDROXY-3-NITRO-4-METHYLPYRIDINE
2-HYDROXY-3-NITRO-4-PICOLINE
2-HYDROXY-4-METHYL-3-NITROPYRIDINE
4-METHYL-3-NITRO-2-PYRIDINOL
4-METHYL-3-NITRO-2-PYRIDONE
4-METHYL-3-NITROPYRIDIN-2-OL
Hydroxymethylnitropyridine
4-Methyl-3-Nitro-2(1H)-Pyridinone
2-HYDROXY-4-METHYLNITROPYRIDINE
2-HYDROXY-3-NITRO-4-METHYLPYRIDINE 98+%
2-HYDROXY-3-NITRO-4-PICOLINE (2-HYDROXY-4-METHYL-3-NITROPYRIDINE) | [EINECS(EC#)]
692-865-1 | [Molecular Formula]
C6H6N2O3 | [MDL Number]
MFCD00010689 | [Molecular Weight]
154.12 | [MOL File]
21901-18-8.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder | [Melting point ]
229-232 °C(lit.)
| [Boiling point ]
277.46°C (rough estimate) | [density ]
1.4564 (rough estimate) | [refractive index ]
1.5100 (estimate) | [storage temp. ]
Store at room temperature | [solubility ]
soluble in Dimethylformamide | [form ]
Crystalline Solid | [pka]
8.40±0.10(Predicted) | [color ]
Pale yellow | [BRN ]
139125 | [InChI]
InChI=1S/C6H6N2O3/c1-4-2-3-7-6(9)5(4)8(10)11/h2-3H,1H3,(H,7,9) | [InChIKey]
HZCWTTHQRMHIIE-UHFFFAOYSA-N | [SMILES]
C1(=O)NC=CC(C)=C1[N+]([O-])=O | [CAS DataBase Reference]
21901-18-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29337900 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystalline powder | [General Description]
The conformational stability and the vibartional analysis of 2-hydroxy-4-methyl-3-nitropyridine was studied. | [Synthesis]
4-Methyl-3-nitropyridin-2-amine (compound 8, 11 g, 0.072 mol) was added to 150 mL of water, concentrated sulfuric acid (11 mL) was added slowly with stirring and cooled to 0 °C in an ice bath. Sodium nitrite (9 g, 0.130 mol) was dissolved in 20 mL of water and added slowly dropwise through a long-necked funnel to just below the reaction solution level. The reaction was stirred continuously for 2 h at room temperature and then heated to boiling until the reaction was complete, during which no brown gas escaped. After completion of the reaction, the reaction solution was cooled and the solid product was collected by filtration and dried to give 2-keto-3-nitro-4-methylpyridine (Compound 9, 10.8 g, 97.6% yield). The melting points of the product were 222.3-222.6 °C (aqueous phase) and 231.6-231.8 °C (ethanol phase), which were in agreement with literature reports. | [References]
[1] Patent: EP2366691, 2011, A1. Location in patent: Page/Page column 7
[2] Journal of the American Chemical Society, 1950, vol. 72, p. 2806
[3] Journal of Organic Chemistry, 1955, vol. 20, p. 1729,1731
[4] Chemical and Pharmaceutical Bulletin, 2008, vol. 56, # 6, p. 775 - 780
[5] Chemical and Pharmaceutical Bulletin, 2017, vol. 65, # 1, p. 66 - 81 |
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