CAS 944905-45-7

Ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

Description:

Ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. The presence of a trifluoromethyl group (-CF3) at the 4-position of the pyrrole ring significantly influences its chemical properties, enhancing its lipophilicity and potentially its reactivity. The ethyl ester functional group at the 2-position contributes to its solubility in organic solvents and can participate in various chemical reactions, such as esterification and nucleophilic substitutions. This compound is of interest in medicinal chemistry and material science due to its unique electronic properties and potential applications in drug development. Its CAS number, 944905-45-7, allows for easy identification in chemical databases. Safety data should be consulted for handling and storage, as the trifluoromethyl group can impart specific toxicological properties. Overall, Ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate is a versatile compound with significant implications in various fields of research.

Formula: C₈H₈F₃NO₂

InChI: InChI=1S/C8H8F3NO2/c1-2-14-7(13)6-3-5(4-12-6)8(9,10)11/h3-4,12H,2H2,1H3

InChI key: InChIKey=SCWZCVOYWKIAFI-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C(F)(F)F)=CN1

Synonyms:

• 1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-, ethyl ester
• Ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

Ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

CAS: 944905-45-7

Versatile small molecule scaffold

Formula: C₈H₈F₃NO₂

Purity: Min. 95%

Molecular weight: 207.15 g/mol

Ref: 3D-UMB90545