CAS 75092-27-2

Methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate

Description:

Methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of two iodine atoms at the 3 and 4 positions of the pyrazole ring significantly influences its reactivity and physical properties, such as increased molecular weight and potential for halogen bonding. The methyl ester functional group at the 5-position contributes to its solubility in organic solvents and can participate in various chemical reactions, including esterification and hydrolysis. This compound is often used in synthetic organic chemistry and may serve as an intermediate in the synthesis of pharmaceuticals or agrochemicals. Its iodine substituents may also impart unique biological activities, making it of interest in medicinal chemistry. Safety data should be consulted, as halogenated compounds can exhibit varying degrees of toxicity and environmental impact. Overall, Methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate is a versatile compound with applications in research and development.

Formula: C₆H₆I₂N₂O₂

InChI: InChI=1S/C6H6I2N2O2/c1-10-4(6(11)12-2)3(7)5(8)9-10/h1-2H3

InChI key: InChIKey=NLQJJOOLZYJNHM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(I)C(I)=NN1C

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 3,4-diiodo-1-methyl-, methyl ester
• Methyl 3,4-diiodo-1-methyl-1H-pyrazole-5-carboxylate