| Identification | Back Directory | [Name]
2-METHYL-5-NITRONICOTINIC ACID | [CAS]
59290-81-2 | [Synonyms]
IFLAB-BB F2124-0617
2-METHYL-5-NITRONICOTINIC ACID
2-Methyl-5-nitro-3-pyridinecarboxylic acid
2-methyl-5-nitropyridine-3-carboxylic acid
3-Pyridinecarboxylicacid, 2-Methyl-5-nitro- | [Molecular Formula]
C7H6N2O4 | [MDL Number]
MFCD07339171 | [MOL File]
59290-81-2.mol | [Molecular Weight]
182.13 |
| Chemical Properties | Back Directory | [Melting point ]
215-215.5 °C | [Boiling point ]
370.1±42.0 °C(Predicted) | [density ]
1.477±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
2.47±0.10(Predicted) | [Appearance]
Light brown to brown Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-methyl-5-nitronicotinic acid from ethyl 2-methyl-5-nitronicotinate: compound D4 (300 g, 1.4 mol) was dissolved in a mixture of 800 mL hydrochloric acid and 800 mL water. The reaction mixture was heated under reflux conditions for 1 hour. Upon completion of the reaction, it was cooled to room temperature, the reaction solution was diluted with 2.0 L of water and slowly neutralized with the addition of solid sodium bicarbonate to pH=5.0. During this process, a precipitate was gradually formed. The mixture was further cooled and the precipitate was collected by filtration. After drying, brown solid D5 (223 g, 85.7% yield) was obtained. The product was characterized by 1H NMR (DMSO-d6, 300 MHz): δ = 2.84 (s, 3H), 8.74-8.75 (d, 1H), 9.35-9.36 (d, 1H), 13.90 (s, 1H).LC-MS analysis showed that the [M-1]+ peak was located at 180.9. | [References]
[1] Patent: WO2008/88881, 2008, A1. Location in patent: Page/Page column 33-34
[2] Journal of the American Chemical Society, 1953, vol. 75, p. 737
[3] Patent: WO2007/56016, 2007, A2. Location in patent: Page/Page column 105 |
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