CAS 886497-37-6

Ethyl 2,3-dihydro-4-(4-nitrophenyl)-2-oxo-5-thiazolecarboxylate

Description:

Ethyl 2,3-dihydro-4-(4-nitrophenyl)-2-oxo-5-thiazolecarboxylate is a chemical compound characterized by its thiazole ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a nitrophenyl group indicates potential for electrophilic substitution reactions, while the keto and thiazole functionalities suggest it may participate in various chemical transformations, including condensation and cyclization reactions. The compound's structure implies it may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its molecular properties, such as melting point, boiling point, and solubility, would depend on the specific interactions of its functional groups. Additionally, the compound's CAS number, 886497-37-6, allows for easy identification and retrieval of data in chemical databases, facilitating research and application in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₂H₁₀N₂O₅S

InChI: InChI=1S/C12H10N2O5S/c1-2-19-11(15)10-9(13-12(16)20-10)7-3-5-8(6-4-7)14(17)18/h3-6H,2H2,1H3,(H,13,16)

InChI key: InChIKey=VPLKKMIALNGIGD-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(NC(=O)S1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 5-Thiazolecarboxylic acid, 2,3-dihydro-4-(4-nitrophenyl)-2-oxo-, ethyl ester
• Ethyl 2,3-dihydro-4-(4-nitrophenyl)-2-oxo-5-thiazolecarboxylate