CAS 127958-09-2

4-(1,1-Dimethylethyl)-2-methyl-5-pyrimidinecarboxylic acid

Description:

4-(1,1-Dimethylethyl)-2-methyl-5-pyrimidinecarboxylic acid, with the CAS number 127958-09-2, is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a tert-butyl group (1,1-dimethylethyl) and a methyl group at specific positions on the pyrimidine ring influences its steric and electronic properties, potentially affecting its solubility and interaction with biological systems. It may exhibit applications in pharmaceuticals or agrochemicals due to its structural characteristics. The compound's stability, reactivity, and potential uses can be further explored through its synthesis and characterization in laboratory settings. As with many organic compounds, safety data sheets should be consulted for handling and storage guidelines.

Formula: C₁₀H₁₄N₂O₂

InChI: InChI=1S/C10H14N2O2/c1-6-11-5-7(9(13)14)8(12-6)10(2,3)4/h5H,1-4H3,(H,13,14)

InChI key: InChIKey=YRQFXEWQMNIMCI-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1C(C(O)=O)=CN=C(C)N1

Synonyms:

• 4-tert-Butyl-2-methylpyrimidine-5-carboxylic acid
• 4-(1,1-Dimethylethyl)-2-methyl-5-pyrimidinecarboxylic acid
• 5-Pyrimidinecarboxylic acid, 4-(1,1-dimethylethyl)-2-methyl-