| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
3-Hydroxy-6-methyl-2-nitropyridine manufacturers
|
| | 3-Hydroxy-6-methyl-2-nitropyridine Basic information |
| | 3-Hydroxy-6-methyl-2-nitropyridine Chemical Properties |
| Melting point | 106-107 °C (lit.) | | Boiling point | 277.46°C (rough estimate) | | density | 1.4564 (rough estimate) | | refractive index | 1.5100 (estimate) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder to crystal | | pka | 1.01±0.22(Predicted) | | color | Light orange to Yellow to Green | | BRN | 974751 | | InChI | InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3 | | InChIKey | WZMGQHIBXUAYGS-UHFFFAOYSA-N | | SMILES | C1([N+]([O-])=O)=NC(C)=CC=C1O | | CAS DataBase Reference | 15128-90-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39-36 | | WGK Germany | 3 | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Hydroxy-6-methyl-2-nitropyridine Usage And Synthesis |
| Chemical Properties | yellow fine crystalline powder | | Uses | 3-Hydroxy-6-methyl-2-nitropyridine was used in the synthesis of 3-methoxy-6-methyl-2-nitropyridine.Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT). | | General Description | Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT). | | Synthesis | General procedure for the synthesis of 3-hydroxy-6-methyl-2-nitropyridine from 3-hydroxy-6-methylpyridine: 3-hydroxy-6-methylpyridine (23.6 g, 216 mmol) was dissolved in concentrated sulfuric acid (50 mL) and cooled to 0 °C. Fuming nitric acid (50 mL) was added slowly over a period of 1 hour. The reaction mixture was stirred at room temperature for 1 hour and then poured into ice (400 g) and the precipitate was collected by filtration. The resulting solid was dissolved in ethyl acetate and the organic layer was washed with brine (100 mL). The organic phase was dried over anhydrous magnesium sulfate and the solvent was evaporated under reduced pressure to give 12.1 g of the title compound (36.3% yield). The melting point of the product was 102-105 °C. 1H NMR (DMSO-d6, 300 MHz) δ: 2.44 (s, 3H), 7.52 (d, J = 8.5 Hz, 1H), 7.58 (d, J = 8.5 Hz, 1H). Mass spectrum (ESI-Q1MS) m/e 153 (M-H)+. Elemental analysis calculated values (C6H6N3O3): C, 46.76; H, 3.92; N, 18.18. Measured values: C, 46.65; H, 3.98; N, 18.10. | | References | [1] Heterocycles, 1994, vol. 38, # 3, p. 529 - 540
[2] Journal of Medicinal Chemistry, 1987, vol. 30, # 11, p. 2031 - 2046
[3] Patent: US6133253, 2000, A
[4] Patent: US5155116, 1992, A
[5] Patent: US5084456, 1992, A |
| | 3-Hydroxy-6-methyl-2-nitropyridine Preparation Products And Raw materials |
|