CAS 1354705-69-3

Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate

Description:

Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a carboxylate functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the butyl group enhances its hydrophobic properties, while the iodo substituent can facilitate various chemical reactions, including nucleophilic substitutions and coupling reactions. The methyl ester group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. This compound may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical research. Its specific properties, such as solubility, melting point, and stability, would depend on the molecular interactions and the environment in which it is studied. As with many halogenated compounds, safety precautions should be taken due to potential toxicity and environmental impact. Overall, Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate represents a versatile building block in synthetic organic chemistry.

Formula: C₉H₁₃IN₂O₂

InChI: InChI=1S/C9H13IN2O2/c1-3-4-5-12-6-7(10)8(11-12)9(13)14-2/h6H,3-5H2,1-2H3

InChI key: InChIKey=KPARSMMZKOZGAK-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(I)=CN(CCCC)N1

Synonyms:

• Methyl 1-butyl-4-iodo-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 1-butyl-4-iodo-, methyl ester