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CAS 1354704-28-1

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Ethyl 4-iodo-3-methyl-1H-pyrazole-1-acetate

Description:
Ethyl 4-iodo-3-methyl-1H-pyrazole-1-acetate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of an iodine atom at the 4-position and an ethyl acetate group at the 1-position contributes to its unique reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to its polar functional groups. Its molecular structure suggests potential biological activity, making it of interest in pharmaceutical research. The iodine substituent can enhance the compound's reactivity in nucleophilic substitution reactions, while the acetate group may influence its solubility and stability. As with many halogenated compounds, safety precautions should be taken when handling, as iodine can pose health risks. Overall, Ethyl 4-iodo-3-methyl-1H-pyrazole-1-acetate represents a versatile building block in synthetic organic chemistry.
Formula:C8H11IN2O2
InChI:InChI=1S/C8H11IN2O2/c1-3-13-8(12)5-11-4-7(9)6(2)10-11/h4H,3,5H2,1-2H3
InChI key:InChIKey=PQJKIOKVGRWDKQ-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)N1C=C(I)C(C)=N1
Synonyms:
  • Ethyl 4-iodo-3-methyl-1H-pyrazole-1-acetate
  • 1H-Pyrazole-1-acetic acid, 4-iodo-3-methyl-, ethyl ester
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