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CAS 844891-13-0

:

1,1-Dimethylethyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

Description:
1,1-Dimethylethyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate, identified by its CAS number 844891-13-0, is a chemical compound that features a pyrazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a formyl group (-CHO) and a carboxylate group (-COO-) attached to the pyrazole ring, along with two methyl groups at the 3 and 5 positions. The tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, influencing its reactivity and solubility. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and agrochemicals. The presence of multiple functional groups suggests potential for diverse chemical reactivity, including nucleophilic attacks and condensation reactions. Its synthesis and applications may be explored in various fields, including pharmaceuticals and materials science, where pyrazole derivatives are often utilized for their unique properties.
Formula:C11H16N2O3
InChI:InChI=1S/C11H16N2O3/c1-7-9(6-14)8(2)13(12-7)10(15)16-11(3,4)5/h6H,1-5H3
InChI key:InChIKey=AZJWODKWFMBMCM-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C(C)=C(C=O)C(C)=N1
Synonyms:
  • 1,1-Dimethylethyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate
  • 1H-Pyrazole-1-carboxylic acid, 4-formyl-3,5-dimethyl-, 1,1-dimethylethyl ester
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