CAS 127957-91-9

Ethyl 4-(1,1-dimethylethyl)-2-methyl-5-pyrimidinecarboxylate

Description:

Ethyl 4-(1,1-dimethylethyl)-2-methyl-5-pyrimidinecarboxylate, with the CAS number 127957-91-9, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic compound containing nitrogen atoms. This substance features an ethyl ester functional group, contributing to its reactivity and solubility properties. The presence of a tert-butyl group (1,1-dimethylethyl) and a methyl group on the pyrimidine ring enhances its steric bulk, potentially influencing its interactions in chemical reactions and biological systems. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may exhibit moderate to low solubility in water, while being more soluble in organic solvents due to its hydrophobic alkyl groups. Ethyl 4-(1,1-dimethylethyl)-2-methyl-5-pyrimidinecarboxylate may have applications in pharmaceuticals or agrochemicals, although specific uses would depend on further research into its biological activity and chemical behavior.

Formula: C₁₂H₁₈N₂O₂

InChI: InChI=1S/C12H18N2O2/c1-6-16-11(15)9-7-13-8(2)14-10(9)12(3,4)5/h7H,6H2,1-5H3

InChI key: InChIKey=QKIJBTSRQMNSOY-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(C(C)(C)C)=NC(C)=NC1

Synonyms:

• 5-Pyrimidinecarboxylic acid, 4-(1,1-dimethylethyl)-2-methyl-, ethyl ester
• Ethyl 4-(1,1-dimethylethyl)-2-methyl-5-pyrimidinecarboxylate
• Ethyl 4-tert-butyl-2-methylpyrimidine-5-carboxylate