CAS 916210-29-2

1,1-Dimethylethyl N-[(4-bromobicyclo[2.2.2]oct-1-yl)methyl]carbamate

Description:

1,1-Dimethylethyl N-[(4-bromobicyclo[2.2.2]oct-1-yl)methyl]carbamate, with the CAS number 916210-29-2, is a chemical compound characterized by its unique structure that includes a carbamate functional group and a bicyclic moiety. This compound features a tert-butyl group (1,1-dimethylethyl) which contributes to its steric bulk, potentially influencing its reactivity and interaction with biological targets. The presence of the bromine atom in the bicyclic structure may enhance its lipophilicity and affect its pharmacokinetic properties. Typically, compounds of this nature are investigated for their potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. The bicyclic structure can impart rigidity, which may be beneficial for binding interactions with specific biological receptors. Additionally, the stability of the carbamate linkage can influence the compound's degradation and activity in various environments. Overall, the characteristics of this compound suggest it may have interesting biological activities worth exploring in further research.

Formula: C₁₄H₂₄BrNO₂

InChI: InChI=1S/C14H24BrNO2/c1-12(2,3)18-11(17)16-10-13-4-7-14(15,8-5-13)9-6-13/h4-10H2,1-3H3,(H,16,17)

InChI key: InChIKey=JUTMVEJMIVSFAX-UHFFFAOYSA-N

SMILES: C(NC(OC(C)(C)C)=O)C12CCC(Br)(CC1)CC2

Synonyms:

• Carbamic acid, N-[(4-bromobicyclo[2.2.2]oct-1-yl)methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[(4-bromobicyclo[2.2.2]oct-1-yl)methyl]carbamate