CAS 88149-57-9

1H-Pyrrole-3,4-dicarboxylic acid, 2,5-bis(trifluoromethyl)-, diethyl ester

Description:

1H-Pyrrole-3,4-dicarboxylic acid, 2,5-bis(trifluoromethyl)-, diethyl ester, identified by CAS number 88149-57-9, is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features two carboxylic acid groups that are esterified with ethyl groups, enhancing its solubility and reactivity. The presence of two trifluoromethyl groups at the 2 and 5 positions of the pyrrole ring significantly influences its electronic properties, making it more lipophilic and potentially increasing its biological activity. The trifluoromethyl groups can also enhance the compound's stability and alter its interaction with biological targets. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its unique structural features and potential applications. However, specific safety and handling information should be consulted, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles.

Formula: C₁₂H₁₁F₆NO₄

InChI: InChI=1S/C12H11F6NO4/c1-3-22-9(20)5-6(10(21)23-4-2)8(12(16,17)18)19-7(5)11(13,14)15/h19H,3-4H2,1-2H3

InChI key: AGJDSJRFDUTLFC-UHFFFAOYSA-N

SMILES: CCOC(=O)C1=C(NC(=C1C(=O)OCC)C(F)(F)F)C(F)(F)F