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CAS 913835-37-7

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B-[4-[[(3-Chloro-4-methylphenyl)amino]carbonyl]phenyl]boronic acid

Description:
B-[4-[[(3-Chloro-4-methylphenyl)amino]carbonyl]phenyl]boronic acid is a boronic acid derivative characterized by its boron atom bonded to a phenyl group and an amino acid moiety. This compound features a chloro-substituted aromatic ring, which contributes to its potential biological activity, particularly in medicinal chemistry. The presence of the boronic acid functional group is significant, as it allows for reversible covalent bonding with diols, making it useful in various applications, including drug development and as a tool in chemical biology. The compound's structure suggests it may interact with specific biological targets, potentially influencing pathways related to cancer or other diseases. Additionally, the presence of the carbonyl group enhances its reactivity and solubility in organic solvents. Overall, this compound exemplifies the versatility of boronic acids in synthetic and medicinal chemistry, with implications for developing targeted therapies and understanding molecular interactions in biological systems.
Formula:C14H13BClNO3
InChI:InChI=1S/C14H13BClNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
InChI key:InChIKey=IZMAVYDCXUROFV-UHFFFAOYSA-N
SMILES:N(C(=O)C1=CC=C(B(O)O)C=C1)C2=CC(Cl)=C(C)C=C2
Synonyms:
  • B-[4-[[(3-Chloro-4-methylphenyl)amino]carbonyl]phenyl]boronic acid
  • Boronic acid, [4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]-
  • Boronic acid, B-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]phenyl]-
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