CAS 1354706-70-9

Ethyl 4-iodo-1H-pyrazole-1-butanoate

Description:

Ethyl 4-iodo-1H-pyrazole-1-butanoate is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with an iodine atom and an ethyl ester functional group. This compound typically exhibits properties associated with both heterocyclic compounds and esters, such as moderate solubility in organic solvents and potential reactivity due to the presence of the iodine atom, which can participate in nucleophilic substitution reactions. The pyrazole moiety contributes to its biological activity, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the butanoate group enhances its lipophilicity, which may influence its absorption and distribution in biological systems. The compound's synthesis often involves multi-step reactions, highlighting its complexity and the need for careful handling due to the presence of iodine, which can be hazardous. Overall, Ethyl 4-iodo-1H-pyrazole-1-butanoate is a versatile compound with potential applications in various fields, including pharmaceuticals and materials science.

Formula: C₉H₁₃IN₂O₂

InChI: InChI=1S/C9H13IN2O2/c1-2-14-9(13)4-3-5-12-7-8(10)6-11-12/h6-7H,2-5H2,1H3

InChI key: InChIKey=DGFCVTFENXPLGE-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)N1N=CC(I)=C1

Synonyms:

• 1H-Pyrazole-1-butanoic acid, 4-iodo-, ethyl ester
• Ethyl 4-iodo-1H-pyrazole-1-butanoate