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CAS 957061-00-6

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B-[3-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid

Description:
B-[3-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid, with the CAS number 957061-00-6, is a boronic acid derivative characterized by its 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 improving its bioavailability. Additionally, the compound may exhibit specific reactivity patterns due to the functional groups present, allowing it to participate in cross-coupling reactions, which are essential in the formation of carbon-carbon bonds. Its structural features suggest potential applications in drug development, particularly in the design of inhibitors or modulators of biological targets. Overall, this compound represents a versatile building block in organic and medicinal chemistry, with implications for further research and development in pharmaceutical applications.
Formula:C15H16BNO3
InChI:InChI=1S/C15H16BNO3/c1-10-6-7-11(2)14(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=VXKQWIGNLAJBGU-UHFFFAOYSA-N
SMILES:N(C(=O)C1=CC(B(O)O)=CC=C1)C2=C(C)C=CC(C)=C2
Synonyms:
  • Boronic acid, B-[3-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-
  • B-[3-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid
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