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CAS 851048-52-7

:

(4-Cyclobutylhexahydro-1H-1,4-diazepin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Description:
The chemical substance known as "(4-Cyclobutylhexahydro-1H-1,4-diazepin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone," with the CAS number 851048-52-7, is a complex organic compound characterized by its unique structural features. It contains a diazepine ring, which contributes to its potential biological activity, and a boron-containing moiety that may enhance its reactivity and solubility properties. The presence of the cyclobutyl group suggests potential strain and unique steric interactions, while the tetramethyl-dioxaborolane unit may play a role in coordination chemistry or as a functional group in various reactions. This compound is likely to exhibit specific physicochemical properties such as solubility in organic solvents, stability under certain conditions, and potential reactivity with nucleophiles or electrophiles due to the functional groups present. Its intricate structure may also indicate potential applications in medicinal chemistry, particularly in drug design or as a building block in organic synthesis. Further studies would be necessary to elucidate its full range of properties and potential applications.
Formula:C22H33BN2O3
InChI:InChI=1S/C22H33BN2O3/c1-21(2)22(3,4)28-23(27-21)18-11-9-17(10-12-18)20(26)25-14-6-13-24(15-16-25)19-7-5-8-19/h9-12,19H,5-8,13-16H2,1-4H3
InChI key:InChIKey=IQEQPVJBDBQGSV-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C(=O)N3CCN(CCC3)C4CCC4)C=C2
Synonyms:
  • Methanone, (4-cyclobutylhexahydro-1H-1,4-diazepin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
  • (4-Cyclobutylhexahydro-1H-1,4-diazepin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
  • 1H-1,4-Diazepine, 1-cyclobutylhexahydro-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]-
  • 1-Cyclobutyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl]hexahydro-1H-1,4-diazepine
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