CAS 473924-98-0

Ethyl 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylate

Description:

Ethyl 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylate is a complex organic compound characterized by its pyrimidine core structure, which is a six-membered ring containing nitrogen atoms. This compound features a formyl group, an ethyl ester, and a nitrophenyl substituent, contributing to its diverse chemical properties. The presence of the nitro group indicates potential for electrophilic reactivity, while the ethyl ester suggests it may participate in esterification or hydrolysis reactions. The tetrahydro structure implies that the compound is saturated in certain positions, which can influence its stability and reactivity. Additionally, the presence of multiple functional groups suggests potential for various applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its molecular structure may also confer specific biological activities, making it a candidate for further research in drug discovery. Overall, this compound exemplifies the complexity and versatility of organic molecules in chemical synthesis and application.

Formula: C₁₅H₁₅N₃O₆

InChI: InChI=1S/C15H15N3O6/c1-3-24-14(20)12-9(2)16-15(21)17(8-19)13(12)10-4-6-11(7-5-10)18(22)23/h4-8,13H,3H2,1-2H3,(H,16,21)

InChI key: InChIKey=YRRKLSIBQMZIEK-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(N(C=O)C(=O)NC1C)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• Ethyl 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-(4-nitrophenyl)-2-oxo-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-6-(4-nitrophenyl)-2-oxo-, ethyl ester