CAS 1015242-05-3

Hexahydro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-1H-azepine

Description:

Hexahydro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-1H-azepine is a complex organic compound characterized by its unique structural features, which include a hexahydroazepine ring and a pyrimidine moiety substituted with a dioxaborolane group. The presence of the dioxaborolane unit suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a reagent in organic synthesis. The compound's azepine structure contributes to its potential biological activity, as azepines are often found in various pharmacologically active compounds. Additionally, the tetramethyl groups on the dioxaborolane enhance its stability and solubility in organic solvents. The compound's molecular configuration may influence its reactivity and interaction with biological targets, making it of interest in medicinal chemistry. Overall, this substance exemplifies the intricate relationship between molecular structure and functional properties, highlighting its potential utility in both synthetic and pharmaceutical chemistry.

Formula: C₁₆H₂₆BN₃O₂

InChI: InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-11-18-14(19-12-13)20-9-7-5-6-8-10-20/h11-12H,5-10H2,1-4H3

InChI key: InChIKey=UUBFPTDIJZLCFT-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C=2C=NC(=NC2)N3CCCCCC3

Synonyms:

• 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester
• 1H-Azepine, hexahydro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
• Hexahydro-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-1H-azepine