CAS 71548-53-3

1-Hexyl-4-methoxycarbonyl-2-pyrrolidone

Description:

1-Hexyl-4-methoxycarbonyl-2-pyrrolidone, identified by its CAS number 71548-53-3, is a chemical compound that belongs to the class of pyrrolidones, which are five-membered lactams. This substance features a hexyl chain, which contributes to its hydrophobic characteristics, and a methoxycarbonyl group that enhances its reactivity and solubility in organic solvents. The presence of the pyrrolidone ring provides it with potential applications in various fields, including pharmaceuticals and materials science, due to its ability to form hydrogen bonds and interact with other molecules. The compound is likely to exhibit moderate to high stability under standard conditions, but specific reactivity can depend on the functional groups present. Its solubility profile suggests it may dissolve well in organic solvents while having limited solubility in water. As with many organic compounds, safety data should be consulted to understand its toxicity and handling requirements. Overall, 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone is a versatile compound with potential applications in synthesis and formulation.

Formula: C₁₂H₂₁NO₃

InChI: InChI=1S/C12H21NO3/c1-3-4-5-6-7-13-9-10(8-11(13)14)12(15)16-2/h10H,3-9H2,1-2H3

InChI key: InChIKey=GJHNTLQYACBIND-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1CN(CCCCCC)C(=O)C1

Synonyms:

• 3-Pyrrolidinecarboxylic acid, 1-hexyl-5-oxo-, methyl ester
• Methyl 1-hexyl-5-oxopyrrolidine-3-carboxylate
• 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone
• 3-pyrrolidinecarboxylic acid, 1-hexyl-5-oxo-, methyl ester
• 1-Hexyl-4-methyloxycarbonyl-2-pyrrolidone