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CAS 306937-20-2

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5-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid

Description:
5-Bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a carboxylic acid functional group. The presence of the tert-butoxycarbonyl (Boc) group indicates that this compound is likely used in peptide synthesis or as a protecting group for amines due to its stability under various reaction conditions. The bromine atom enhances the compound's reactivity, making it suitable for further functionalization or coupling reactions. This compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the solvent's polarity. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the presence of both the carboxylic acid and the Boc group allows for versatile reactivity, making it a valuable intermediate in organic synthesis. Safety data should be consulted for handling, as brominated compounds can pose health risks.
Formula:C12H14BrNO4
InChI:InChI=1/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
SMILES:CC(C)(C)OC(=Nc1ccc(cc1C(=O)O)Br)O
Synonyms:
  • Benzoic Acid, 5-Bromo-2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-
  • 5-Bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid
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