| Identification | More | [Name]
5-BROMO-2-HYDROXY-4-METHYLPYRIDINE | [CAS]
164513-38-6 | [Synonyms]
2-HYDROXY-4-METHYL-5-BROMOPYRIDINE
5-BROMO-2-HYDROXY-4-METHYLPYRIDINE
5-BROMO-2-HYDROXY-4-PICOLINE
5-BROMO-4-METHYL-2(1H)-PYRIDINONE
5-BROMO-4-METHYL-2-PYRIDINOL
5-BROMO-4-METHYLPYRIDIN-2-OL
5-Bromo-4-methylpyridin-2-ol, 5-Bromo-2-hydroxy-4-picoline
2-HYDROXY-5-BROMO-4-PICOLINE | [Molecular Formula]
C6H6BrNO | [MDL Number]
MFCD03427664 | [Molecular Weight]
188.02 | [MOL File]
164513-38-6.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [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 |
| Hazard Information | Back Directory | [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 |
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