CAS 887591-09-5

1,1-Dimethylethyl 3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 887591-09-5, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a trifluoromethyl-substituted phenyl group. This compound typically exhibits properties associated with both amines and esters, given its functional groups. It is likely to be a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals due to its unique molecular features. The presence of the trifluoromethyl group often enhances lipophilicity and biological activity, making such compounds of interest in medicinal chemistry. Additionally, the dimethyl group contributes to steric hindrance, which can influence the compound's reactivity and interactions with biological targets. Safety and handling precautions are essential, as with many organic compounds, particularly those containing fluorinated groups, which may pose environmental and health risks. Overall, this compound represents a class of molecules that are valuable in various chemical research and development contexts.

Formula: C₁₇H₂₃F₃N₂O₂

InChI: InChI=1S/C17H23F3N2O2/c1-16(2,3)24-15(23)22-8-7-12(11-22)10-21-14-6-4-5-13(9-14)17(18,19)20/h4-6,9,12,21H,7-8,10-11H2,1-3H3

InChI key: InChIKey=BHAXYTZMGMYPML-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(CNC2=CC(C(F)(F)F)=CC=C2)CC1

Synonyms:

• 1,1-Dimethylethyl 3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1-pyrrolidinecarboxylate
• 1-Boc-3-([(3-Trifluoromethyl-Phenyl)-Amino]-Methyl)-Pyrrolidine
• 1-Pyrrolidinecarboxylic acid, 3-[[[3-(trifluoromethyl)phenyl]amino]methyl]-, 1,1-dimethylethyl ester