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CAS 1021919-24-3

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1,1-Dimethylethyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate

Description:
1,1-Dimethylethyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a bromine atom and a carboxylate group. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and reactivity. This compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity can be influenced by the bromine substituent, which may participate in nucleophilic substitution reactions. The pyrazole moiety is known for its biological activity, making this compound of interest in medicinal chemistry. Its carboxylate functionality may also contribute to its potential as a ligand in coordination chemistry or as an intermediate in organic synthesis. Overall, the compound's characteristics suggest it may have applications in pharmaceuticals or agrochemicals, although specific biological or chemical properties would require further investigation through empirical studies.
Formula:C9H13BrN2O2
InChI:InChI=1S/C9H13BrN2O2/c1-6-7(10)5-12(11-6)8(13)14-9(2,3)4/h5H,1-4H3
InChI key:InChIKey=LRPOLTGTSAIHRO-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=C(Br)C(C)=N1
Synonyms:
  • 1,1-Dimethylethyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
  • 1-Boc-4-bromo-3-methylpyrazole
  • 1H-Pyrazole-1-carboxylic acid, 4-bromo-3-methyl-, 1,1-dimethylethyl ester
  • tert-Butyl 4-bromo-3-methyl-1H-pyrazole-1-carboxylate
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