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CAS 205985-97-3

:

methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate

Description:
Methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate, with the CAS number 205985-97-3, is an organic compound characterized by its ester functional group and a pyridine ring substituted with a bromine atom. This compound typically exhibits a molecular structure that includes a methyl ester group, a ketone functionality, and a pyridine moiety, which contributes to its potential biological activity and reactivity. The presence of the bromine atom enhances its electrophilic character, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate may be utilized in medicinal chemistry for the development of pharmaceuticals, particularly due to the pyridine ring's ability to interact with biological targets. Additionally, its solubility in organic solvents and moderate stability under standard conditions make it suitable for synthetic applications. As with many brominated compounds, care should be taken regarding its environmental impact and handling due to potential toxicity.
Formula:C9H8BrNO3
InChI:InChI=1S/C9H8BrNO3/c1-14-9(13)3-8(12)6-2-7(10)5-11-4-6/h2,4-5H,3H2,1H3
InChI key:InChIKey=YVDRZMXIMURBFZ-UHFFFAOYSA-N
SMILES:C(CC(OC)=O)(=O)C=1C=C(Br)C=NC1
Synonyms:
  • 3-(5-Bromopyridin-3-yl)-3-oxopropanoic acid methyl ester
  • 3-Pyridinepropanoic acid, 5-bromo-beta-oxo-, methyl ester
  • 3-Pyridinepropanoic acid, 5-bromo-β-oxo-, methyl ester
  • Methyl 5-bromo-β-oxo-3-pyridinepropanoate
  • Methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate
  • Methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate
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