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CAS 871332-85-3

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B-[3-[(Cyclohexylamino)carbonyl]-5-nitrophenyl]boronic acid

Description:
B-[3-[(Cyclohexylamino)carbonyl]-5-nitrophenyl]boronic acid, identified by its CAS number 871332-85-3, is a boronic acid derivative characterized by its unique structural features. This compound contains a boron atom bonded to a phenyl ring that is substituted with a nitro group and a cyclohexylamino carbonyl moiety. The presence of the boronic acid functional group imparts significant reactivity, particularly in forming reversible covalent bonds with diols, making it useful in various applications, including medicinal chemistry and materials science. The nitro group contributes to the compound's electronic properties, potentially enhancing its reactivity and solubility in polar solvents. Additionally, the cyclohexylamino group may influence the compound's biological activity and interaction with biological targets. Overall, this compound exemplifies the versatility of boronic acids in synthetic chemistry and their role in drug development and molecular recognition processes.
Formula:C13H17BN2O5
InChI:InChI=1S/C13H17BN2O5/c17-13(15-11-4-2-1-3-5-11)9-6-10(14(18)19)8-12(7-9)16(20)21/h6-8,11,18-19H,1-5H2,(H,15,17)
InChI key:InChIKey=QWXJHAUEXFJACW-UHFFFAOYSA-N
SMILES:C(NC1CCCCC1)(=O)C2=CC(B(O)O)=CC(N(=O)=O)=C2
Synonyms:
  • B-[3-[(Cyclohexylamino)carbonyl]-5-nitrophenyl]boronic acid
  • Boronic acid, B-[3-[(cyclohexylamino)carbonyl]-5-nitrophenyl]-
  • Boronic acid, [3-[(cyclohexylamino)carbonyl]-5-nitrophenyl]-
  • [3-(Cyclohexylcarbamoyl)-5-nitrophenyl]boronic acid
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