CAS 1031843-31-8

1,1-Dimethylethyl 4-[4-(bromomethyl)phenyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[4-(bromomethyl)phenyl]-1-piperidinecarboxylate, identified by its CAS number 1031843-31-8, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a bromomethyl-substituted phenyl group. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its solubility and reactivity. The presence of the bromomethyl group suggests that it may participate in nucleophilic substitution reactions, making it a candidate for further chemical transformations. The ester functional group (carboxylate) indicates that it may exhibit properties typical of esters, such as volatility and reactivity with nucleophiles. Additionally, the compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the piperidine moiety, which is often found in biologically active compounds. Overall, this substance's unique structural features contribute to its potential utility in various chemical and pharmaceutical applications.

Formula: C₁₇H₂₄BrNO₂

InChI: InChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19-10-8-15(9-11-19)14-6-4-13(12-18)5-7-14/h4-7,15H,8-12H2,1-3H3

InChI key: InChIKey=WUDKWQGRPAIPCS-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(CC1)C2=CC=C(CBr)C=C2

Synonyms:

• 1,1-Dimethylethyl 4-[4-(bromomethyl)phenyl]-1-piperidinecarboxylate
• tert-Butyl-4-[4-(bromomethyl)phenyl]piperidine-1-carboxylate
• 1-Piperidinecarboxylic acid, 4-[4-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester