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CAS 957060-98-9

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B-[3-[[(2,4-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid

Description:
B-[3-[[(2,4-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid, identified by its CAS number 957060-98-9, is a boronic acid derivative characterized by the presence of a boron atom bonded to a phenyl group and an amino carbonyl substituent. This compound typically exhibits properties associated with boronic acids, such as the ability to form reversible covalent bonds with diols, making it useful in various applications, including organic synthesis and medicinal chemistry. The presence of the dimethylphenyl group enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. Additionally, the compound may participate in Suzuki coupling reactions, a common method for forming carbon-carbon bonds in organic synthesis. Its structural features suggest potential applications in drug development, particularly in targeting specific biological pathways or as a building block for more complex molecules. Overall, this compound exemplifies the versatility of boronic acids in chemical research and development.
Formula:C15H16BNO3
InChI:InChI=1S/C15H16BNO3/c1-10-6-7-14(11(2)8-10)17-15(18)12-4-3-5-13(9-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI key:InChIKey=ZVBRLWSDAGYMQQ-UHFFFAOYSA-N
SMILES:C(NC1=C(C)C=C(C)C=C1)(=O)C2=CC(B(O)O)=CC=C2
Synonyms:
  • B-[3-[[(2,4-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid
  • Boronic acid, B-[3-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]-
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