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CAS 1162261-97-3

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1-(1,1-Dimethylethyl) 3-borono-1H-pyrazole-1-carboxylate

Description:
1-(1,1-Dimethylethyl) 3-borono-1H-pyrazole-1-carboxylate, with the CAS number 1162261-97-3, is a chemical compound characterized by its unique structural features, including a pyrazole ring, a boron functional group, and a carboxylate moiety. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which can influence its solubility and reactivity in organic solvents. The boron atom in the compound is typically involved in coordination chemistry, making it a potential candidate for applications in organic synthesis and medicinal chemistry. The carboxylate group contributes to the compound's acidity and can participate in various chemical reactions, including esterification and nucleophilic substitution. Overall, this compound may exhibit interesting biological activities and could be explored for its potential use in agrochemicals or pharmaceuticals, particularly in the development of boron-containing compounds that can interact with biological targets. Its specific reactivity and applications would depend on further studies and characterization.
Formula:C8H13BN2O4
InChI:InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-4-6(10-11)9(13)14/h4-5,13-14H,1-3H3
InChI key:InChIKey=WYFZWYIHBPVOPY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1N=C(B(O)O)C=C1
Synonyms:
  • 1H-Pyrazole-1-carboxylic acid, 3-borono-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 3-borono-1H-pyrazole-1-carboxylate
  • 1-Boc-pyrazol-3-ylboronic acid
  • [1-[(tert-Butoxy)carbonyl]-1H-pyrazol-3-yl]boronic acid
  • (1-(tert-Butoxycarbonyl)-1H-pyrazol-3-yl)boronic acid
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