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CAS 850568-22-8

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Boronic acid, B-[4-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]-, hydrochloride (1:1)

Description:
Boronic acid, specifically the compound with the name "B-[4-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]-, hydrochloride (1:1)" and CAS number 850568-22-8, is characterized by its boron-containing functional group, which is known for its ability to form reversible covalent bonds with diols. This compound features a phenyl ring substituted with a dimethylaminoethyl group and a carbonyl moiety, contributing to its potential biological activity. The hydrochloride form indicates that it is a salt, enhancing its solubility in water and making it suitable for various applications, including medicinal chemistry and organic synthesis. Boronic acids are often utilized in Suzuki coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. The presence of the dimethylamino group may also impart specific pharmacological properties, potentially influencing its interaction with biological targets. Overall, this compound exemplifies the versatility of boronic acids in both synthetic and medicinal chemistry contexts.
Formula:C11H17BN2O3·ClH
InChI:InChI=1S/C11H17BN2O3.ClH/c1-14(2)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17;/h3-6,16-17H,7-8H2,1-2H3,(H,13,15);1H
InChI key:InChIKey=UJXAREBBWZJMPR-UHFFFAOYSA-N
SMILES:C(NCCN(C)C)(=O)C1=CC=C(B(O)O)C=C1.Cl
Synonyms:
  • 4-[2-(N,N-Dimethylaminoethyl)Aminocarbonyl]Benzeneboronic Acid Hydrochloride
  • Boronic acid, B-[4-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]-, hydrochloride (1:1)
  • Boronic acid, [4-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]-, monohydrochloride
  • [4-[[2-(Dimethylamino)ethyl]carbamoyl]phenyl]boronic acid hydrochloride
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