CAS 938191-11-8

2,3-Diethyl 1-amino-5-(1-methylethyl)-1H-pyrrole-2,3-dicarboxylate

Description:

2,3-Diethyl 1-amino-5-(1-methylethyl)-1H-pyrrole-2,3-dicarboxylate is a chemical compound characterized by its complex structure, which includes a pyrrole ring substituted with various functional groups. This compound features two ethyl groups at the 2 and 3 positions of the pyrrole ring, an amino group at the 1 position, and a branched isopropyl group at the 5 position. The presence of two carboxylate ester functionalities at the 2 and 3 positions contributes to its reactivity and potential applications in organic synthesis. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic alkyl substituents, while the carboxylate groups may impart some polar characteristics. Its unique structure suggests potential utility in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific properties such as melting point, boiling point, and spectral data would require experimental determination or detailed literature references for precise characterization.

Formula: C₁₃H₂₀N₂O₄

InChI: InChI=1S/C13H20N2O4/c1-5-18-12(16)9-7-10(8(3)4)15(14)11(9)13(17)19-6-2/h7-8H,5-6,14H2,1-4H3

InChI key: InChIKey=ZBQNYKDHNVRETE-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C(OCC)=O)N(N)C(C(C)C)=C1

Synonyms:

• 2,3-Diethyl 1-amino-5-(1-methylethyl)-1H-pyrrole-2,3-dicarboxylate
• 1H-Pyrrole-2,3-dicarboxylic acid, 1-amino-5-(1-methylethyl)-, 2,3-diethyl ester