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CAS 1086392-54-2

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8-Isoquinolinyl 1,1,1-trifluoromethanesulfonate

Description:
8-Isoquinolinyl 1,1,1-trifluoromethanesulfonate is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound featuring a nitrogen atom in the ring. The presence of the trifluoromethanesulfonate group indicates that it is a sulfonate ester, which is known for its reactivity, particularly in nucleophilic substitution reactions. This compound is typically used in organic synthesis, particularly in the formation of carbon-nitrogen bonds, due to the electrophilic nature of the trifluoromethanesulfonate moiety. The trifluoromethyl group enhances the compound's stability and solubility in various organic solvents. Additionally, the isoquinoline framework may impart biological activity, making it of interest in medicinal chemistry. As with many sulfonate esters, it may be sensitive to moisture and should be handled with care in a controlled environment. Overall, 8-Isoquinolinyl 1,1,1-trifluoromethanesulfonate serves as a valuable intermediate in the synthesis of more complex organic molecules.
Formula:C10H6F3NO3S
InChI:InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-3-1-2-7-4-5-14-6-8(7)9/h1-6H
InChI key:InChIKey=MWALAZWDGYMEJY-UHFFFAOYSA-N
SMILES:O(S(C(F)(F)F)(=O)=O)C=1C2=C(C=CC1)C=CN=C2
Synonyms:
  • 8-Isoquinolinyl 1,1,1-trifluoromethanesulfonate
  • Methanesulfonic acid, 1,1,1-trifluoro-, 8-isoquinolinyl ester
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