CAS 1001500-62-4

Methyl 1-[(4-chloro-2-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate

Description:

Methyl 1-[(4-chloro-2-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate, identified by its CAS number 1001500-62-4, is a chemical compound that belongs to the class of pyrazole derivatives. It features a pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms, and is substituted with a carboxylate group and a phenoxy moiety. The presence of the 4-chloro-2-methylphenoxy group contributes to its potential biological activity, making it of interest in pharmaceutical research. This compound is typically characterized by its molecular weight, solubility in organic solvents, and stability under various conditions. Its synthesis often involves multi-step organic reactions, and it may exhibit specific reactivity patterns due to the functional groups present. The compound's properties, such as melting point, boiling point, and spectral data (NMR, IR, MS), are essential for its identification and characterization in laboratory settings. Overall, this compound's unique structure suggests potential applications in medicinal chemistry and agrochemicals.

Formula: C₁₃H₁₃ClN₂O₃

InChI: InChI=1S/C13H13ClN2O3/c1-9-7-10(14)3-4-12(9)19-8-16-6-5-11(15-16)13(17)18-2/h3-7H,8H2,1-2H3

InChI key: InChIKey=KJQBSRCAMQXOCD-UHFFFAOYSA-N

SMILES: C(OC1=C(C)C=C(Cl)C=C1)N2N=C(C(OC)=O)C=C2

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 1-[(4-chloro-2-methylphenoxy)methyl]-, methyl ester
• Methyl 1-[(4-chloro-2-methylphenoxy)methyl]-1H-pyrazole-3-carboxylate