Description

4-Formyl-2-methoxy-6-nitrophenyl trifluoromethanesulfonate (CAS No. 1021493-52-6) is a high-purity, specialized chemical reagent designed for advanced synthetic and research applications. This compound, with the molecular formula C₉H₆F₃NO₇S, is a trifluoromethanesulfonate ester derivative featuring a formyl group, methoxy substituent, and nitro functionality on a phenyl ring. Its IUPAC name is (4-formyl-2-methoxy-6-nitrophenyl) trifluoromethanesulfonate, and it is supplied as a stable solid with stringent quality control to ensure consistency in reactivity. Ideal for use in organic synthesis, catalysis, and pharmaceutical intermediate preparation, this compound is packaged under inert conditions to maintain its integrity. Suitable for researchers requiring precise electrophilic or leaving group reactivity in complex molecular transformations.

Properties

• CAS Number: 1021493-52-6
• Complexity: 495
• IUPAC Name: (4-formyl-2-methoxy-6-nitro-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C9H6F3NO7S/c1-19-7-3-5(4-14)2-6(13(15)16)8(7)20-21(17,18)9(10,11)12/h2-4H,1H3
• InChI Key: UJHAJLHOIGFTGF-UHFFFAOYSA-N
• Exact Mass: 328.98170719
• Molecular Formula: C9H6F3NO7S
• Molecular Weight: 329.21
• SMILES: COC1=CC(=CC(=C1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])C=O
• Topological: 124
• Monoisotopic Mass: 328.98170719
• Synonyms: 1021493-52-6, 4-Formyl-2-methoxy-6-nitrophenyl trifluoromethanesulfonate, DTXSID90721131, DTXCID60671876, Trifluoro-methanesulfonic acid 2-methoxy-4-formyl-6-nitro-phenyl ester, (4-formyl-2-methoxy-6-nitrophenyl) trifluoromethanesulfonate, Methanesulfonic acid, 1,1,1-trifluoro-, 4-formyl-2-methoxy-6-nitrophenyl ester, Trifluoromethanesulfonic acid 2-methoxy-4-formyl-6-nitrophenyl ester, CS-0439887, G10137, 4-Formyl-2-methoxy-6-nitrophenyltrifluoromethanesulfonate

Application

4-Formyl-2-methoxy-6-nitrophenyl trifluoromethanesulfonate serves as a versatile intermediate in organic synthesis, particularly in the construction of nitro- and formyl-substituted aromatic systems. Its triflate group acts as an excellent leaving group, enabling nucleophilic substitution reactions in medicinal chemistry and materials science. Researchers utilize this compound in cross-coupling reactions, such as Suzuki or Heck couplings, to introduce functionalized aryl groups. It is also employed in the synthesis of dyes, ligands, and agrochemical precursors due to its reactive formyl and nitro moieties.

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