Description

1-Naphthyl trifluoromethanesulfonate (CAS No. 99747-74-7) is a high-purity, organosulfur compound with the molecular formula C₁₁H₇F₃O₃S. This specialized reagent is widely utilized in organic synthesis, particularly as an efficient triflating agent for naphthalene derivatives. With a purity of 97%, it serves as a critical intermediate in pharmaceutical research, material science, and advanced chemical synthesis. The compound exhibits excellent reactivity in palladium-catalyzed cross-coupling reactions, making it invaluable for constructing complex aromatic frameworks. Packaged under inert conditions to ensure stability, this product is ideal for researchers requiring precise and reliable performance in sensitive applications.

Properties

• CAS Number: 99747-74-7
• Complexity: 385
• IUPAC Name: 1-naphthyl trifluoromethanesulfonate
• InChI: InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChI Key: WQWUQDVFRYMMCY-UHFFFAOYSA-N
• Exact Mass: 276.00679974
• Molecular Formula: C11H7F3O3S
• Molecular Weight: 276.23
• SMILES: C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F
• Topological: 51.8
• Monoisotopic Mass: 276.00679974
• Synonyms: 1-Naphthyl trifluoromethanesulfonate, 99747-74-7, NSC 662277, DTXSID40244229, DTXCID90166720, 623-315-0, naphthalen-1-yl trifluoromethanesulfonate, 1-Naphthyl triflate, NSC662277, XFN7KQP8Q3, NSC-662277, naphthyl triflate, 1-naphthyl-triflate, MFCD00192340, 1-Naphthalenyl triflate, UNII-XFN7KQP8Q3, SCHEMBL1056365, SCHEMBL9987590, Methanesulfonic acid, 1,1,1-trifluoro-, 1-naphthalenyl ester, AKOS015912623, 1-(Trifluoromethanesulfonyl)naphthalene, naphthalen-1-yltrifluoromethanesulfonate, BS-53111, 1-Naphthyl trifluoromethanesulfonate, 97%, DB-375437, CS-0368273, E83879

1-Naphthyl trifluoromethanesulfonate is primarily employed as a triflating reagent in organic synthesis, enabling the introduction of triflate groups onto naphthalene scaffolds. It is particularly useful in Suzuki-Miyaura and Stille cross-coupling reactions for constructing biaryl systems. Researchers also utilize it in the preparation of advanced intermediates for pharmaceuticals and agrochemicals. Its stability and reactivity make it suitable for catalytic transformations in complex molecule synthesis.

Safety and Hazards

GHS Hazard Statements

• H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (97.5%)
• Eye Dam. 1 (97.5%)

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