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CAS 1017782-45-4

:

Methyl 3-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate

Description:
Methyl 3-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate, identified by CAS number 1017782-45-4, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylate functional group, contributing to its reactivity and potential applications in various chemical reactions. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric properties, which can influence its interactions and solubility in different solvents. Methyl esters, like this compound, are generally known for their relatively low boiling points and volatility, making them useful in organic synthesis and as intermediates in the production of pharmaceuticals and agrochemicals. Additionally, the pyrazole moiety is often associated with biological activity, suggesting potential applications in medicinal chemistry. Overall, the unique structural features of this compound may provide avenues for research and development in various chemical and pharmaceutical fields.
Formula:C9H14N2O2
InChI:InChI=1S/C9H14N2O2/c1-9(2,3)7-6(5-10-11-7)8(12)13-4/h5H,1-4H3,(H,10,11)
InChI key:InChIKey=RBCJMGWABQNGAM-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1C(C(OC)=O)=CNN1
Synonyms:
  • Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate
  • Methyl 3-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate
  • 1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-, methyl ester
  • 3-tert-Butyl-1H-pyrazole-4-carboxylic acid methyl ester
  • Methyl3(5)-t-butylpyrazole-4-carboxylate
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