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CAS 1217500-76-9

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B-[2-(Hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]boronic acid

Description:
B-[2-(Hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]boronic acid, with the CAS number 1217500-76-9, is a boronic acid derivative characterized by its unique functional groups that include a hydroxymethyl group and an allylamine moiety. 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 drug development and molecular recognition. The presence of the phenyl ring contributes to its stability and potential for π-π stacking interactions, while the allyl group may facilitate further chemical modifications or reactions. Additionally, boronic acids are known for their role in Suzuki coupling reactions, which are pivotal in organic synthesis. The compound's solubility and reactivity can vary based on pH and the presence of other functional groups, influencing its behavior in biological and chemical systems. Overall, this compound's structural features suggest potential utility in medicinal chemistry and materials science.
Formula:C10H12BNO4
InChI:InChI=1S/C10H12BNO4/c1-2-10(14)12-8-4-3-7(6-13)9(5-8)11(15)16/h2-5,13,15-16H,1,6H2,(H,12,14)
InChI key:InChIKey=SIPPDIZUHBQKKL-UHFFFAOYSA-N
SMILES:B(O)(O)C1=C(CO)C=CC(NC(C=C)=O)=C1
Synonyms:
  • B-[2-(Hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]boronic acid
  • Boronic acid, B-[2-(hydroxymethyl)-5-[(1-oxo-2-propen-1-yl)amino]phenyl]-
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