CAS 1206524-68-6

1,1-Dimethylethyl 2-[(trifluoromethoxy)methyl]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 2-[(trifluoromethoxy)methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 1206524-68-6, is a chemical compound characterized by its unique structural features. It contains a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with a trifluoromethoxy group, enhancing its reactivity and potential applications in various chemical reactions. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, which can influence its interaction with other molecules. This compound is likely to exhibit properties typical of esters, such as volatility and solubility in organic solvents, while the trifluoromethoxy group may impart distinctive electronic properties, making it useful in medicinal chemistry and agrochemical applications. Additionally, the trifluoromethyl moiety is known for its ability to enhance lipophilicity and metabolic stability, which can be advantageous in drug design. Overall, this compound's unique combination of functional groups suggests potential utility in various synthetic and pharmaceutical contexts.

Formula: C₁₁H₁₈F₃NO₃

InChI: InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(16)15-6-4-5-8(15)7-17-11(12,13)14/h8H,4-7H2,1-3H3

InChI key: InChIKey=OUXISQZTECIOQR-UHFFFAOYSA-N

SMILES: C(OC(F)(F)F)C1N(C(OC(C)(C)C)=O)CCC1

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 2-[(trifluoromethoxy)methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-[(trifluoromethoxy)methyl]-1-pyrrolidinecarboxylate