CAS 1241725-70-1

1-(1,1-Dimethylethyl) 3-ethyl 4,4-difluoro-1,3-piperidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 3-ethyl 4,4-difluoro-1,3-piperidinedicarboxylate, with CAS number 1241725-70-1, is a chemical compound characterized by its piperidine ring structure, which is a six-membered nitrogen-containing heterocycle. This compound features two carboxylate ester functional groups, contributing to its potential reactivity and solubility in various organic solvents. The presence of difluoro substituents on the piperidine ring enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The tert-butyl and ethyl groups provide steric hindrance, which can affect the compound's conformation and interactions with biological targets. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activities and properties would require further investigation through experimental studies.

Formula: C₁₃H₂₁F₂NO₄

InChI: InChI=1S/C13H21F2NO4/c1-5-19-10(17)9-8-16(7-6-13(9,14)15)11(18)20-12(2,3)4/h9H,5-8H2,1-4H3

InChI key: InChIKey=YLNXOQRUXIFXPA-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1C(F)(F)CCN(C(OC(C)(C)C)=O)C1

Synonyms:

• 1-(1,1-Dimethylethyl) 3-ethyl 4,4-difluoro-1,3-piperidinedicarboxylate
• 1,3-Piperidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) 3-ethyl ester
• 1-tert-Butyl 3-ethyl 4,4-difluoropiperidine-1,3-dicarboxylate