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CAS 1363210-15-4

:

3-Methyl-5-isoxazolyl 1,1,1-trifluoromethanesulfonate

Description:
3-Methyl-5-isoxazolyl 1,1,1-trifluoromethanesulfonate is a chemical compound characterized by its unique structure, which includes an isoxazole ring and a trifluoromethanesulfonate group. The presence of the trifluoromethanesulfonate moiety imparts significant reactivity, making it a useful electrophile in various organic synthesis reactions. This compound is typically utilized in the field of medicinal chemistry and agrochemicals due to its potential as a building block for more complex molecules. Its isoxazole ring contributes to its biological activity, often enhancing the compound's ability to interact with biological targets. The trifluoromethyl group is known for its ability to influence the lipophilicity and metabolic stability of the compound. Additionally, the compound's stability under standard laboratory conditions allows for its handling and storage, although precautions should be taken due to the potential toxicity associated with trifluoromethanesulfonate derivatives. Overall, 3-Methyl-5-isoxazolyl 1,1,1-trifluoromethanesulfonate is a versatile compound with applications in synthetic organic chemistry.
Formula:C5H4F3NO4S
InChI:InChI=1S/C5H4F3NO4S/c1-3-2-4(12-9-3)13-14(10,11)5(6,7)8/h2H,1H3
InChI key:InChIKey=DPAKBTVUDKNQAG-UHFFFAOYSA-N
SMILES:O(S(C(F)(F)F)(=O)=O)C1=CC(C)=NO1
Synonyms:
  • 3-Methyl-5-isoxazolyl 1,1,1-trifluoromethanesulfonate
  • Methanesulfonic acid, 1,1,1-trifluoro-, 3-methyl-5-isoxazolyl ester
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