| Identification | Back Directory | [Name]
1-(3-BROMOPYRIDIN-4-YL)ETHANONE | [CAS]
111043-06-2 | [Synonyms]
4-Acetyl-3-broMopyridine
1-(3-BROMOPYRIDIN-4-YL)ETHANONE
1-(3-broMo-4-pyridinyl)ethanone
1-(2-BroMo-pyridin-4-yl)-ethanone
Ethanone, 1-(3-bromo-4-pyridinyl)-
1-(3-Bromopyridin-4-yl)ethan-1-one
ETHANAONE, 1-(3-BROMO-4-PYRIDINYL)-
1-(3-BROMOPYRIDIN-4-YL)ETHANONE ISO 9001：2015 REACH | [Molecular Formula]
C7H6BrNO | [MDL Number]
MFCD00128861 | [MOL File]
111043-06-2.mol | [Molecular Weight]
200.033 |
| Chemical Properties | Back Directory | [Boiling point ]
265.0±25.0 °C(Predicted) | [density ]
1.534±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [form ]
liquid | [pka]
1.17±0.18(Predicted) | [color ]
Clear, dark yellow | [InChI]
InChI=1S/C7H6BrNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3 | [InChIKey]
JCSJIVMVXJQSDE-UHFFFAOYSA-N | [SMILES]
C(=O)(C1C=CN=CC=1Br)C |
| Hazard Information | Back Directory | [Uses]
1-(3-Bromopyridin-4-yl)ethanone can be used as a synthetic intermediate. To a suspension of 1-(3-Bromopyridin-4-yl)ethanone (1.00 g, 5.00 mmol) and 1,3- dimethyl-2,3-dihydro-2-oxopyrimidinium sulfate (0.909 g, 5.25 mmol) in CH3CN (4 mL) was added Et3N (1.05 mL, 7.55 mmol) at 0 °C. The mixture was allowed to warm up to 45 °C. After being stirred at the same temperature for 1.5 h, the mixture was concentrated in vacuo. To the residue was added AcOH (4 mL) and NH4OAc (2.11 g, 27.35 mmol), and then the mixture was stirred at 120 °C for 4 h. After being cooled to room temperature, the mixture was poured into 8 M NaOH (35 mL) at 0 °C and extracted with EtOAc. The organic layer was separated, washed with water and brine, dried over Na2SO4, and concentrated in vacuo. The residue was purified by column chromatography (NH silica gel, eluted with 0− 20% EtOAc in hexane) to give 3′-Bromo-2,4′-bipyridine (548 mg, 2.33 mmol, 47%) as a pale yellow oil.[1] | [References]
[1] YUICHI KAJITA. Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors[J]. Journal of Medicinal Chemistry, 2022, 65 4: 3343-3358. DOI:10.1021/acs.jmedchem.1c01898. |
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