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CAS 850589-42-3

:

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

Description:
B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid, with CAS number 850589-42-3, is a boronic acid derivative characterized by its boron atom bonded to a phenyl group and a carboxylic acid functional group. This compound features a chloro substituent and an amide linkage, which contribute to its potential reactivity and biological activity. Boronic acids are known for their ability to form reversible covalent bonds with diols, making them useful in various applications, including drug development and materials science. The presence of the phenylmethylamino group suggests potential interactions with biological targets, which may be relevant in medicinal chemistry. Additionally, the compound's structural features may influence its solubility, stability, and reactivity, making it a subject of interest in research focused on enzyme inhibition or as a building block in organic synthesis. Overall, this compound exemplifies the diverse functionalities that can be achieved through the incorporation of boron into organic molecules.
Formula:C14H13BClNO3
InChI:InChI=1S/C14H13BClNO3/c16-13-8-11(15(19)20)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChI key:InChIKey=KPMFJSKLOSUPQR-UHFFFAOYSA-N
SMILES:C(NCC1=CC=CC=C1)(=O)C2=C(Cl)C=C(B(O)O)C=C2
Synonyms:
  • [4-(Benzylcarbamoyl)-3-chlorophenyl]boronic acid
  • B-[3-Chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]boronic acid
  • Boronic acid, B-[3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]-
  • (4-(Benzylcarbamoyl)-3-chlorophenyl)boronicacid
  • Boronic acid, [3-chloro-4-[[(phenylmethyl)amino]carbonyl]phenyl]-
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