CAS 1211531-12-2

1-(1,1-Dimethylethyl) 2-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 2-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate, identified by its CAS number 1211531-12-2, is a chemical compound characterized by its unique structural features. It contains a pyrrolidine ring, which is a five-membered cyclic amine, and is substituted with both a tert-butyl group and a trifluoromethyl group. The presence of the dicarboxylate functional groups indicates that it has two ester functionalities, which can influence its reactivity and solubility in various solvents. This compound is likely to exhibit properties typical of pyrrolidine derivatives, such as potential biological activity and applications in organic synthesis. The trifluoromethyl group is known for imparting lipophilicity and enhancing metabolic stability, making this compound of interest in medicinal chemistry. Additionally, the tert-butyl group can provide steric hindrance, affecting the compound's interactions with other molecules. Overall, this compound's unique combination of functional groups suggests potential utility in pharmaceuticals or agrochemicals, although specific applications would depend on further research and characterization.

Formula: C₁₁H₁₆F₃NO₄

InChI: InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-6-4-5-10(15,7(16)17)11(12,13)14/h4-6H2,1-3H3,(H,16,17)

InChI key: InChIKey=YBJQIQYOUVHHSZ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1(C(O)=O)N(C(OC(C)(C)C)=O)CCC1

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 2-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 2-(trifluoromethyl)-1,2-pyrrolidinedicarboxylate