CAS 720692-77-3

3-(1,1-Dimethylethyl) 7-borono-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

Description:

3-(1,1-Dimethylethyl) 7-borono-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate, with the CAS number 720692-77-3, is a chemical compound characterized by its complex structure, which includes a benzazepine core fused with a boron-containing group. This compound typically exhibits properties associated with both organic and organoboron chemistry, making it of interest in various synthetic applications, particularly in medicinal chemistry and drug development. The presence of the boron atom can enhance reactivity and facilitate certain types of chemical transformations, such as Suzuki coupling reactions. The tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, potentially influencing its solubility and interaction with biological targets. Additionally, the carboxylate functional group may impart acidic properties, affecting the compound's behavior in different pH environments. Overall, this compound's unique structural features and functional groups make it a valuable candidate for research in organic synthesis and pharmaceutical applications.

Formula: C₁₅H₂₂BNO₄

InChI: InChI=1S/C15H22BNO4/c1-15(2,3)21-14(18)17-8-6-11-4-5-13(16(19)20)10-12(11)7-9-17/h4-5,10,19-20H,6-9H2,1-3H3

InChI key: InChIKey=POZYCYGOSOMMJH-UHFFFAOYSA-N

SMILES: B(O)(O)C=1C=C2C(CCN(C(OC(C)(C)C)=O)CC2)=CC1

Synonyms:

• [3-[[(1,1-Dimethylethyl)oxy]carbonyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]boronic acid
• 3-(1,1-Dimethylethyl) 7-borono-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
• 3H-3-Benzazepine-3-carboxylic acid, 7-borono-1,2,4,5-tetrahydro-, 3-(1,1-dimethylethyl) ester