CAS 877371-69-2

(3aS,4S,6S,7aR)-Hexahydro-N,3a,8,8-tetramethyl-4,6-methano-1,3,2-benzodioxaborole-2-methanamine

Description:

The chemical substance known as (3aS,4S,6S,7aR)-Hexahydro-N,3a,8,8-tetramethyl-4,6-methano-1,3,2-benzodioxaborole-2-methanamine, with the CAS number 877371-69-2, is a complex organic compound characterized by its unique bicyclic structure that incorporates a dioxaborole moiety. This compound features multiple stereocenters, contributing to its chiral nature, which can significantly influence its biological activity and interactions. The presence of nitrogen and boron in its structure suggests potential applications in medicinal chemistry, particularly in drug design and development. The tetramethyl groups enhance its lipophilicity, potentially affecting its solubility and permeability in biological systems. Additionally, the methanamine functional group may impart basic properties, influencing its reactivity and interaction with other molecules. Overall, this compound exemplifies the intricate relationship between molecular structure and function, making it a subject of interest in various fields, including pharmaceuticals and materials science.

Formula: C₁₂H₂₂BNO₂

InChI: InChI=1S/C12H22BNO2/c1-11(2)8-5-9(11)12(3)10(6-8)15-13(16-12)7-14-4/h8-10,14H,5-7H2,1-4H3/t8-,9-,10+,12-/m0/s1

InChI key: InChIKey=UGAWCTKVAYZCRM-GUDRVLHUSA-N

SMILES: C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB(CNC)O2)[H])[H])[H]

Synonyms:

• 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,5,5-tetramethyl-, (3aS,4S,6S,7aR)-
• 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,8,8-tetramethyl-, (3aS,4S,6S,7aR)-
• (3aS,4S,6S,7aR)-Hexahydro-N,3a,8,8-tetramethyl-4,6-methano-1,3,2-benzodioxaborole-2-methanamine