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CAS 913835-40-2

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B-[4-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid

Description:
B-[4-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid, identified by its CAS number 913835-40-2, 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 contributes to its hydrophobic characteristics, while the amino and carbonyl functionalities can engage in hydrogen bonding and enhance solubility in polar solvents. Additionally, boronic acids are known for their role in Suzuki coupling reactions, which are pivotal in the formation of carbon-carbon bonds in organic synthesis. Overall, this compound's unique structure and functional groups make it a valuable building block in the development of pharmaceuticals and advanced materials.
Formula:C15H16BNO3
InChI:InChI=1S/C15H16BNO3/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(8-6-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI key:InChIKey=HCANATQAPBZHDY-UHFFFAOYSA-N
SMILES:N(C(=O)C1=CC=C(B(O)O)C=C1)C2=C(C)C=CC(C)=C2
Synonyms:
  • B-[4-[[(2,5-Dimethylphenyl)amino]carbonyl]phenyl]boronic acid
  • Boronic acid, B-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-
  • Boronic acid, [4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-
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