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| | 5-Bromo-2-hydroxy-4-methylpyridine Basic information |
| | 5-Bromo-2-hydroxy-4-methylpyridine Chemical Properties |
| Melting point | 198-202 °C (lit.) | | Boiling point | 291.8±40.0 °C(Predicted) | | density | 1.5296 (rough estimate) | | refractive index | 1.5500 (estimate) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | Solid | | pka | 9.99±0.10(Predicted) | | color | Off-white | | Water Solubility | Slightly soluble in water. | | InChI | 1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9) | | InChIKey | BYGNXKDNIFHZHQ-UHFFFAOYSA-N | | SMILES | Cc1cc(O)ncc1Br | | CAS DataBase Reference | 164513-38-6(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22-37/38-41 | | Safety Statements | 26 | | WGK Germany | 3 | | Hazard Note | Harmful | | HazardClass | IRRITANT | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 5-Bromo-2-hydroxy-4-methylpyridine Usage And Synthesis |
| Chemical Properties | light yellow powder | | Uses | It is used for medicine. | | Synthesis | The general procedure for the synthesis of 5-bromo-2-hydroxy-4-methylpyridine using 2-amino-5-bromo-4-methylpyridine as starting material was as follows: an aqueous solution (14 ml) of sodium nitrite (5.44 g, 78.8 mmol) was added slowly and dropwise at 0-5°C to 20% of a 20% solution containing 2-amino-5-bromo-4-methylpyridine (12.83 g, 68.6 mmol) in sulfuric acid solution (69 ml). The reaction mixture was stirred at 0°C for 1 hour and then heated to reflux for 1 hour. Subsequently, the reaction solution was alkalized to pH 10 with 40% sodium hydroxide solution and after cooling to 5°C, the precipitated product was isolated by filtration. The product was recrystallized from ethanol to give 5-bromo-2-hydroxy-4-methylpyridine (5.97 g, 31% yield) as white needle-like crystals (melting point 200°-201°C). NMR hydrogen spectrum (D6-DMSO) δH: 2.17 (3H, single peak, CH3), 6.40 (1H, single peak, 3-H), 7.76 (1H, single peak, 6-H), 11.58 (1H, single peak, NH). Mass spectrum (EI) m/z: 189 (M+, 100%), 187 (M+, 97%). Measured molecular weight: 186.9634 (theoretical molecular weight of C6H6NOBr is 186.9633). | | References | [1] Patent: US5536745, 1996, A
[2] Tetrahedron Letters, 1994, vol. 35, # 22, p. 3771 - 3774 |
| | 5-Bromo-2-hydroxy-4-methylpyridine Preparation Products And Raw materials |
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