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CAS 873221-73-9

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Ethyl 1-methyl-α,γ-dioxo-1H-pyrazole-4-butanoate

Description:
Ethyl 1-methyl-α,γ-dioxo-1H-pyrazole-4-butanoate, identified by its CAS number 873221-73-9, is a chemical compound that belongs to the class of pyrazole derivatives. This substance features a pyrazole ring, which is a five-membered ring containing two nitrogen atoms, and is characterized by the presence of two carbonyl groups (dioxo) at the α and γ positions relative to the nitrogen atoms. The ethyl ester functional group contributes to its reactivity and solubility properties. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and drug development. The presence of the butanoate moiety suggests potential applications in organic synthesis and as intermediates in various chemical reactions. Additionally, the structural features may influence its physical properties, such as melting point, boiling point, and solubility in different solvents. As with many chemical substances, safety data and handling precautions should be considered when working with this compound.
Formula:C10H12N2O4
InChI:InChI=1S/C10H12N2O4/c1-3-16-10(15)9(14)4-8(13)7-5-11-12(2)6-7/h5-6H,3-4H2,1-2H3
InChI key:InChIKey=CTXYSYJHSRNFSK-UHFFFAOYSA-N
SMILES:C(CC(C(OCC)=O)=O)(=O)C=1C=NN(C)C1
Synonyms:
  • Ethyl 1-methyl-α,γ-dioxo-1H-pyrazole-4-butanoate
  • 4-(1-Methyl-1H-pyrazol-4-yl)-2,4-dioxobutanoic acid ethyl ester
  • 1H-Pyrazole-4-butanoic acid, 1-methyl-α,γ-dioxo-, ethyl ester
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