| Identification | More | [Name]
3-ACETYL-5-BROMOPYRIDINE | [CAS]
38940-62-4 | [Synonyms]
1-(5-BROMOPYRIDIN-3-YL)ETHANONE
3-ACETYL-5-BROMOPYRIDINE
Ethanone, 1-(5-bromo-3-pyridinyl)-
3-BROMO-5-ACETYLPYRIDINE
5-Acetyl-3-bromopyridine | [EINECS(EC#)]
623-602-0 | [Molecular Formula]
C7H6BrNO | [MDL Number]
MFCD03086033 | [Molecular Weight]
200.03 | [MOL File]
38940-62-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
77-79°C | [Boiling point ]
279.3±25.0 °C(Predicted) | [density ]
1.534±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
1.08±0.20(Predicted) | [color ]
White to Light yellow | [BRN ]
112808 | [InChI]
1S/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3 | [InChIKey]
LDBPZEQZCOUYFT-UHFFFAOYSA-N | [SMILES]
CC(=O)c1cncc(Br)c1 | [CAS DataBase Reference]
38940-62-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Hoar or pale yellow solid | [Uses]
3-Acetyl-5-bromopyridine is used in the synthesis of benzimidazole CYP11B2 inhibitors. Potent and selective aldosterone inhibitors are used to treat diseases such as those resulting in the stiffening of the heart. | [Synthesis]
To a solution of 5-bromo-N-methoxy-N-methylnicotinamide (2.08 g, 8.5 mmol) in tetrahydrofuran (THF, 20 mL) was slowly added methylmagnesium bromide (MeMgBr, 1.52 g, 12.75 mmol) at -78 °C. The reaction mixture was stirred at room temperature for 2 h before the reaction was quenched with deionized water. Subsequently, the reaction mixture was extracted with ethyl acetate (EtOAc) and the organic layer was washed with saturated brine and dried over anhydrous sodium sulfate (Na2SO4). After filtration, the filtrate was concentrated under reduced pressure and the resulting residue was purified by fast column chromatography to afford the target product 3-acetyl-5-bromopyridine (1.5 g, 88% yield). | [References]
[1] Patent: US2013/72679, 2013, A1. Location in patent: Paragraph 0893; 0894
[2] Patent: WO2013/37779, 2013, A1. Location in patent: Page/Page column 235; 236 |
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