Description

Trifluoro-methanesulfonic acid 2-methoxy-5-nitro-phenyl ester (CAS No. 720702-42-1) is a high-purity chemical compound with the molecular formula C₈H₆F₃NO₆S. This specialized reagent, also known by its IUPAC name (2-methoxy-5-nitrophenyl) trifluoromethanesulfonate, is designed for advanced synthetic and research applications. The compound features a trifluoromethanesulfonate (triflate) group, a highly reactive leaving group, coupled with a methoxy-nitro-substituted phenyl ring, making it a valuable intermediate in organic synthesis, catalysis, and pharmaceutical development. Our product is rigorously tested to ensure ≥95% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor in the synthesis of complex molecules.

Properties

• CAS Number: 720702-42-1
• Complexity: 425
• IUPAC Name: (2-methoxy-5-nitro-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C8H6F3NO6S/c1-17-6-3-2-5(12(13)14)4-7(6)18-19(15,16)8(9,10)11/h2-4H,1H3
• InChI Key: CUNFQSVJQORPQU-UHFFFAOYSA-N
• Exact Mass: 300.98679257
• Molecular Formula: C8H6F3NO6S
• Molecular Weight: 301.20
• SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
• Topological: 107
• Monoisotopic Mass: 300.98679257
• Synonyms: trifluoro-methanesulfonic acid 2-methoxy-5-nitro-phenyl ester, SCHEMBL5578046, DTXSID801190280, 720702-42-1, Trifluoromethanesulfonic acid 2-methoxy-5-nitrophenyl ester

Application

Trifluoro-methanesulfonic acid 2-methoxy-5-nitro-phenyl ester is widely used as a key intermediate in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Heck couplings. Its triflate group acts as an excellent leaving group, enabling efficient arylations and functionalizations. Researchers also employ this compound in the development of nitroaromatic-based pharmaceuticals and agrochemicals. Additionally, it serves as a precursor for photoactive materials and ligands in coordination chemistry.

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