CAS 939986-46-6

1,1-Dimethylethyl 4-[(4-chloro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[(4-chloro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate, identified by its CAS number 939986-46-6, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a pyrimidine moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The presence of the chloro substituent on the pyrimidine ring may enhance its reactivity and interaction with biological targets. As an ester, it may exhibit properties typical of carboxylate derivatives, such as susceptibility to hydrolysis under certain conditions. The compound's unique combination of functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its specific interactions and efficacy would depend on the overall molecular conformation and the electronic effects imparted by the various substituents. Further studies would be necessary to elucidate its full chemical behavior and potential uses in various fields.

Formula: C₁₄H₂₀ClN₃O₃

InChI: InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-8-5-10(6-9-18)20-12-16-7-4-11(15)17-12/h4,7,10H,5-6,8-9H2,1-3H3

InChI key: InChIKey=WYVZTQHRDAFRJH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(OC=2N=C(Cl)C=CN2)CC1

Synonyms:

• 1,1-Dimethylethyl 4-[(4-chloro-2-pyrimidinyl)oxy]-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 4-[(4-chloro-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester