CAS 1354705-30-8

Methyl 4-iodo-α,3-dimethyl-1H-pyrazole-1-acetate

Description:

Methyl 4-iodo-α,3-dimethyl-1H-pyrazole-1-acetate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of the iodine atom at the 4-position of the pyrazole ring contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The methyl acetate group enhances its solubility in organic solvents and may influence its biological activity. This compound is typically used in research settings, particularly in the development of pharmaceuticals or agrochemicals, due to its unique structural features. Its molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and coupling reactions. Safety data and handling precautions should be observed, as halogenated compounds can pose health risks. Overall, Methyl 4-iodo-α,3-dimethyl-1H-pyrazole-1-acetate represents a versatile building block in synthetic organic chemistry.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-5-7(9)4-11(10-5)6(2)8(12)13-3/h4,6H,1-3H3

InChI key: InChIKey=BNRUKCQQDLDQIC-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C)N1C=C(I)C(C)=N1

Synonyms:

• 1H-Pyrazole-1-acetic acid, 4-iodo-α,3-dimethyl-, methyl ester
• Methyl 4-iodo-α,3-dimethyl-1H-pyrazole-1-acetate