CAS 865812-10-8

(3aR)-1-(2-methylphenyl)-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole

Description:

The chemical substance known as (3aR)-1-(2-methylphenyl)-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole, with the CAS number 865812-10-8, is a complex organic compound that features a unique bicyclic structure incorporating both boron and nitrogen within its framework. This compound is characterized by its oxazaborole moiety, which is known for its potential applications in medicinal chemistry, particularly as an antibacterial agent. The presence of multiple phenyl groups contributes to its hydrophobic character, influencing its solubility and interaction with biological membranes. The stereochemistry indicated by the (3aR) designation suggests specific spatial arrangements that can affect the compound's biological activity and binding properties. Additionally, the incorporation of a methylphenyl group enhances its structural diversity, potentially impacting its pharmacokinetic and pharmacodynamic profiles. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function, making it a subject of interest in drug discovery and development.

Formula: C₂₄H₂₄BNO

InChI: InChI=1/C24H24BNO/c1-19-11-8-9-16-22(19)25-26-18-10-17-23(26)24(27-25,20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-9,11-16,23H,10,17-18H2,1H3/t23-/m1/s1

SMILES: Cc1ccccc1B1N2CCC[C@@H]2C(c2ccccc2)(c2ccccc2)O1

Synonyms:

• (R)-(+)-o-Tolyl-CBS-oxazaborolidine
• (R)-3,3-Diphenyl-1-o-tolyl-tetrahydropyrrolo(1,2,c)(1,3,2)oxazaborole