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CAS 913835-88-8

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Benzoic acid, 3-borono-5-bromo-, 1-ethyl ester

Description:
Benzoic acid, 3-borono-5-bromo-, 1-ethyl ester is an organic compound characterized by its functional groups, which include a benzoic acid moiety, a boronic acid derivative, and an ethyl ester. The presence of the boron atom suggests potential applications in organic synthesis and medicinal chemistry, particularly in the development of boron-containing compounds for drug discovery. The bromine substituent introduces electrophilic properties, making the compound potentially reactive in various chemical reactions, such as cross-coupling reactions. The ethyl ester group enhances the compound's lipophilicity, which may influence its solubility and bioavailability in biological systems. This compound may also exhibit interesting properties related to its acidity and reactivity due to the interplay between the carboxylic acid and boronic acid functionalities. Overall, the unique combination of these structural features makes it a subject of interest in both synthetic and applied chemistry contexts.
Formula:C9H10BBrO4
InChI:InChI=1S/C9H10BBrO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2H2,1H3
InChI key:InChIKey=KNUQTRXBSGKILE-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(B(O)O)=CC(Br)=C1
Synonyms:
  • Benzoic acid, 3-borono-5-bromo-, 1-ethyl ester
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