CAS 1263063-14-4

1,1-Dimethylethyl 2-(3-formyl-5-methyl-1H-pyrazol-1-yl)benzoate

Description:

1,1-Dimethylethyl 2-(3-formyl-5-methyl-1H-pyrazol-1-yl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety and a pyrazole ring. The presence of the dimethyl group contributes to its steric hindrance, influencing its reactivity and solubility. This compound features a formyl group, which is indicative of potential reactivity in condensation reactions, particularly with nucleophiles. The pyrazole ring, known for its biological activity, may impart specific pharmacological properties, making this compound of interest in medicinal chemistry. Additionally, the ester functional group suggests that it may undergo hydrolysis under certain conditions, releasing the corresponding alcohol and carboxylic acid. Its molecular structure likely results in unique physical properties, such as melting and boiling points, which can be influenced by intermolecular interactions. Overall, this compound's characteristics make it a subject of interest for further research in organic synthesis and potential applications in pharmaceuticals.

Formula: C₁₆H₁₈N₂O₃

InChI: InChI=1S/C16H18N2O3/c1-11-9-12(10-19)17-18(11)14-8-6-5-7-13(14)15(20)21-16(2,3)4/h5-10H,1-4H3

InChI key: InChIKey=XVZYKUUYTNMBIZ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C1=C(C=CC=C1)N2N=C(C=O)C=C2C

Synonyms:

• 1,1-Dimethylethyl 2-(3-formyl-5-methyl-1H-pyrazol-1-yl)benzoate
• Benzoic acid, 2-(3-formyl-5-methyl-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester