5-Bromo-2-hydroxymethylpyridine
- CAS NO.：88139-91-7
- Empirical Formula: C6H6BrNO
- Molecular Weight: 188.02
- MDL number: MFCD04035597
- EINECS: 618-116-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-30 21:22:42
What is 5-Bromo-2-hydroxymethylpyridine?
Chemical properties
Light yellow Cryst
Synthesis
5-bromo-2-pyridinecarboxylic acid, methyl ester (648mg, 3mmol) in 10ml of methanol was slowly added to sodium borohydride (340mg, 9mmol) in an ice bath. After that, the ice bath was removed and the reaction mixture was warmed to room temperature. The reaction was stirred for 12 hours. Then 1N HCl was added to adjust the pH to 1. Afterward, a saturated sodium bicarbonate solution was added to adjust the pH to 8. The mixture was then extracted with ethyl acetate. The organic phase was dried over anhydrous magnesium sulfate, filtered, and concentrated under reduced pressure. This resulted in the formation of 535mg of white solid, which was identified as 5-bromo-2-pyridinemethanol. The yield of the desired product was 94.8%.
Properties of 5-Bromo-2-hydroxymethylpyridine
| Melting point: | 59-60°C |
| Boiling point: | 0°C |
| Density | 1.668±0.06 g/cm3(Predicted) |
| Flash point: | 0°C |
| storage temp. | Inert atmosphere,Room Temperature |
| form | powder to crystal |
| pka | 13.09±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| InChI | InChI=1S/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2 |
| CAS DataBase Reference | 88139-91-7(CAS DataBase Reference) |
Safety information for 5-Bromo-2-hydroxymethylpyridine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 5-Bromo-2-hydroxymethylpyridine
| InChIKey | RUCZFWMEACWFER-UHFFFAOYSA-N |
| SMILES | C1(CO)=NC=C(Br)C=C1 |
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