CAS 1354705-02-4

Ethyl 1-ethyl-4-iodo-1H-pyrazole-3-carboxylate

Description:

Ethyl 1-ethyl-4-iodo-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of an ethyl group and an iodine atom at specific positions on the pyrazole ring contributes to its unique reactivity and properties. This compound typically exhibits moderate solubility in organic solvents, reflecting its hydrophobic ethyl groups, while the carboxylate functional group can engage in hydrogen bonding, influencing its solubility in polar solvents. The iodine substituent can enhance the compound's reactivity in nucleophilic substitution reactions, making it a valuable intermediate in organic synthesis. Additionally, the presence of the carboxylate group may impart acidic characteristics, allowing for potential applications in medicinal chemistry and agrochemicals. Overall, this compound's structural features suggest it may be of interest for further research in various chemical applications, including drug development and material science.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-3-11-5-6(9)7(10-11)8(12)13-4-2/h5H,3-4H2,1-2H3

InChI key: InChIKey=SLCJKUMBKKTNIW-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(I)=CN(CC)N1

Synonyms:

• Ethyl 1-ethyl-4-iodo-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 1-ethyl-4-iodo-, ethyl ester
• 1-Ethyl-4-iodo-1H-pyrazole-3-carboxylic acid ethyl ester