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CAS 1315476-05-1

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Benzoic acid, 2-borono-4-chloro-, 1-(2,2-dimethylpropyl) ester

Description:
Benzoic acid, 2-borono-4-chloro-, 1-(2,2-dimethylpropyl) ester is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, a boron atom, and a chlorine substituent. The presence of the boron atom suggests potential applications in organic synthesis and materials science, particularly in the development of boron-containing compounds. The chlorine substituent may impart unique reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. The ester functional group indicates that this compound can undergo hydrolysis to release the corresponding benzoic acid and alcohol. Additionally, the branched alkyl group (2,2-dimethylpropyl) may influence the compound's solubility and steric properties, potentially affecting its biological activity and interaction with other molecules. Overall, this compound's unique combination of functional groups and structural features makes it of interest in both synthetic chemistry and potential applications in pharmaceuticals or agrochemicals. However, specific safety and handling guidelines should be followed due to the presence of chlorine and boron.
Formula:C12H16BClO4
InChI:InChI=1S/C12H16BClO4/c1-12(2,3)7-18-11(15)9-5-4-8(14)6-10(9)13(16)17/h4-6,16-17H,7H2,1-3H3
InChI key:InChIKey=YTWKNWCOCNXTEX-UHFFFAOYSA-N
SMILES:C(OCC(C)(C)C)(=O)C1=C(B(O)O)C=C(Cl)C=C1
Synonyms:
  • Benzoic acid, 2-borono-4-chloro-, 1-(2,2-dimethylpropyl) ester
  • 5-Chloro-2-[(neopentyloxy)carbonyl]phenylboronic acid
  • [5-Chloro-2-[(2,2-dimethylpropoxy)carbonyl]phenyl]boronic acid
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