CAS 21898-45-3

Ethyl 1-methyl-α-oxo-1H-pyrrole-2-acetate

Description:

Ethyl 1-methyl-α-oxo-1H-pyrrole-2-acetate, with the CAS number 21898-45-3, is an organic compound that features a pyrrole ring, which is a five-membered aromatic heterocycle containing nitrogen. This compound is characterized by the presence of an ethyl ester functional group and a ketone group adjacent to the pyrrole nitrogen. The molecular structure contributes to its potential reactivity and applications in organic synthesis. Typically, compounds of this nature exhibit moderate polarity due to the presence of both hydrophobic (ethyl group) and hydrophilic (carbonyl and ester) functionalities. Ethyl 1-methyl-α-oxo-1H-pyrrole-2-acetate may be utilized in various chemical reactions, including condensation and substitution reactions, making it valuable in the synthesis of more complex organic molecules. Additionally, due to the presence of the pyrrole moiety, it may exhibit biological activity, which is of interest in medicinal chemistry. However, specific properties such as solubility, melting point, and reactivity would need to be determined through experimental data.

Formula: C₉H₁₁NO₃

InChI: InChI=1S/C9H11NO3/c1-3-13-9(12)8(11)7-5-4-6-10(7)2/h4-6H,3H2,1-2H3

InChI key: InChIKey=HZSVMMXNUWDJPP-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(=O)C=1N(C)C=CC1

Synonyms:

• 1H-Pyrrole-2-acetic acid, 1-methyl-α-oxo-, ethyl ester
• Pyrrole-2-glyoxylic acid, 1-methyl-, ethyl ester
• Ethyl 1-methyl-2-pyrroleglyoxylate
• Ethyl 2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetate
• Ethyl 1-methyl-α-oxo-1H-pyrrole-2-acetate