CAS 119647-71-1

5-(Ethoxycarbonyl)-γ-oxo-1H-pyrrole-3-butanoic acid

Description:

5-(Ethoxycarbonyl)-γ-oxo-1H-pyrrole-3-butanoic acid is a chemical compound characterized by its unique pyrrole structure, which includes a pyrrole ring substituted with an ethoxycarbonyl group and a butanoic acid moiety. This compound features a γ-oxo functional group, indicating the presence of a carbonyl group adjacent to the nitrogen atom in the pyrrole ring. The ethoxycarbonyl group contributes to its reactivity and solubility properties, making it potentially useful in various organic synthesis applications. The presence of the butanoic acid component suggests that it may exhibit acidic properties, which can influence its behavior in chemical reactions and interactions with other substances. Additionally, the compound's structure may allow for various functionalization possibilities, making it of interest in medicinal chemistry and materials science. Its specific applications would depend on its reactivity and the ability to form derivatives or participate in further chemical transformations. As with many organic compounds, safety and handling precautions should be observed due to potential hazards associated with its chemical properties.

Formula: C₁₁H₁₃NO₅

InChI: InChI=1S/C11H13NO5/c1-2-17-11(16)8-5-7(6-12-8)9(13)3-4-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15)

InChI key: InChIKey=UYAREPYLHMHXQP-UHFFFAOYSA-N

SMILES: C(CCC(O)=O)(=O)C=1C=C(C(OCC)=O)NC1

Synonyms:

• 1H-Pyrrole-3-butanoic acid, 5-(ethoxycarbonyl)-γ-oxo-
• 5-(Ethoxycarbonyl)-γ-oxo-1H-pyrrole-3-butanoic acid
• 4-[5-(Ethoxycarbonyl)-1H-pyrrol-3-yl]-4-oxobutanoic acid