- 3-Methylisonicotinic acid
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- $3.90 / 100KG
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2025-10-13
- CAS:4021-12-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 3-METHYL-4-PYRIDINECARBOXYLIC ACID Basic information |
| | 3-METHYL-4-PYRIDINECARBOXYLIC ACID Chemical Properties |
| Melting point | 235℃ | | Boiling point | 389℃ | | density | 1.230 | | Fp | 189℃ | | storage temp. | Inert atmosphere,Room Temperature | | pka | 0.82±0.25(Predicted) | | Appearance | White to light yellow Solid | | InChI | InChI=1S/C7H7NO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4H,1H3,(H,9,10) | | InChIKey | OSMAGAVKVRGYGR-UHFFFAOYSA-N | | SMILES | C1=NC=CC(C(O)=O)=C1C | | CAS DataBase Reference | 4021-12-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | HazardClass | IRRITANT | | HS Code | 2933399990 |
| | 3-METHYL-4-PYRIDINECARBOXYLIC ACID Usage And Synthesis |
| Uses | 3-Methyl-4-pyridinecarboxylic acid can be used in the preparation of 4,5-dihydro-1H-pyrazole derivatives as cholesterol 24 hydroxylase inhibitors for prevention and/or treatment of neurodegenerative disease. | | Uses | An Isonicotinic Acid (I821760) derivative. Used in the preparation of 4,5-dihydro-1H-pyrazole derivatives as cholesterol 24 hydroxylase inhibitors for prevention and/or treatment of neurodegenerative disease. | | Synthesis | The general procedure for the synthesis of 3-methyl-4-pyridinecarboxylic acid from 3,4-dimethylpyridine was as follows: 3,4-dimethylpyridine (119.30 g, 0.28 mol) was dissolved in diphenyl ether (150 mL) and heated to 150-170 °C, followed by the slow addition of selenium dioxide (62 g, 0.56 mol). Selenium dioxide was added in batches over a period of 1 hour. The reaction mixture was heated to 180 °C and maintained at this temperature for 1 hour. Upon completion of the reaction, the mixture was filtered while hot and the collected precipitate was washed with boiling water (3 x 300 mL). The filtrates were combined and extracted with chloroform (3 x 300 mL). The aqueous phase was evaporated to dryness and the resulting crude product was recrystallized from ethanol (450 mL) to give pure 3-methyl-4-pyridinecarboxylic acid (18 g, 47% yield) with a melting point of 220-222°C (Literature value: J. Chem. Soc., Perkin Trans. 1, 1984, 1501-1505, melting point 232°C).1H NMR (300 MHz, DMSO-d6) δ 8.59 (s, 1H), 8.04 (s, 1H), 8.47 (d, J = 4.8 Hz, 1H), 7.69 (d, J = 4.8 Hz, 1H), 2.48 (s, 3H). | | References | [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 4, p. 1682 - 1697
[2] Patent: US2014/18360, 2014, A1. Location in patent: Paragraph 0152
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 10118 - 10129
[4] Patent: US5952343, 1999, A
[5] Patent: US5461154, 1995, A |
| | 3-METHYL-4-PYRIDINECARBOXYLIC ACID Preparation Products And Raw materials |
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