CAS 1299607-67-2

3-Bromo-5-nitro-4-pyridinyl 1,1,1-trifluoromethanesulfonate

Description:

3-Bromo-5-nitro-4-pyridinyl 1,1,1-trifluoromethanesulfonate, with the CAS number 1299607-67-2, is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with bromine and nitro groups, as well as a trifluoromethanesulfonate moiety. This compound is typically used in organic synthesis and medicinal chemistry due to its electrophilic nature, which allows it to participate in nucleophilic substitution reactions. The presence of the bromine and nitro groups can influence its reactivity and solubility, making it a valuable intermediate in the development of pharmaceuticals or agrochemicals. Additionally, the trifluoromethanesulfonate group is known for its stability and ability to act as a leaving group in various chemical reactions. Overall, this compound's unique functional groups contribute to its potential applications in synthetic chemistry and its role in the development of new chemical entities.

Formula: C₆H₂BrF₃N₂O₅S

InChI: InChI=1S/C6H2BrF3N2O5S/c7-3-1-11-2-4(12(13)14)5(3)17-18(15,16)6(8,9)10/h1-2H

InChI key: InChIKey=LCRZMDZBTAZZGE-UHFFFAOYSA-N

SMILES: O(S(C(F)(F)F)(=O)=O)C=1C(N(=O)=O)=CN=CC1Br

Synonyms:

• 3-Bromo-5-nitro-4-pyridinyl 1,1,1-trifluoromethanesulfonate
• Methanesulfonic acid, 1,1,1-trifluoro-, 3-bromo-5-nitro-4-pyridinyl ester