Description

2-Methyl-5-pyridinetrifluoromethanesulfonate (CAS No. 111770-91-3) is a high-purity, organosulfur compound with the molecular formula C₇H₆F₃NO₃S. Also known as (6-methylpyridin-3-yl) trifluoromethanesulfonate, this specialized reagent features a pyridine core substituted with a methyl group at the 2-position and a trifluoromethanesulfonate (triflate) group at the 5-position. The triflate moiety is a highly reactive leaving group, making this compound invaluable in nucleophilic substitution reactions, cross-coupling catalysis, and organometallic synthesis. Ideal for pharmaceutical intermediates, agrochemical research, and advanced material science applications, our product is rigorously tested for consistency, stability, and purity (typically ≥95% by HPLC). Supplied in sealed, light-resistant packaging under inert atmosphere to ensure long-term integrity.

Properties

• CAS Number: 111770-91-3
• Complexity: 308
• IUPAC Name: (6-methyl-3-pyridyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H6F3NO3S/c1-5-2-3-6(4-11-5)14-15(12,13)7(8,9)10/h2-4H,1H3
• InChI Key: NSSSVJYQTZRVMH-UHFFFAOYSA-N
• Exact Mass: 241.00204871
• Molecular Formula: C7H6F3NO3S
• Molecular Weight: 241.19
• SMILES: CC1=NC=C(C=C1)OS(=O)(=O)C(F)(F)F
• Topological: 64.6
• Monoisotopic Mass: 241.00204871
• Synonyms: 2-Methyl-5-pyridinetrifluoromethanesulfonate, 625-716-6, 111770-91-3, 6-methylpyridin-3-yl trifluoromethanesulfonate, (6-methylpyridin-3-yl) trifluoromethanesulfonate, 6-methyl-3-pyridyl trifluoromethanesulfonate, 6-Methyl-3-Pyridinyl Trifluoromethanesulfonate, Trifluoromethanesulfonic acid 2-methylpyridin-5-yl ester, SCHEMBL752015, DTXSID90561514, MFCD06798124, 5-Trifluoromethanesulfonyloxy-2-picoline, 2-Methyl-5-pyridinetrifluoromethanesulf&, 6-methylpyridin-3-yl trifluoromethansulfonate, 6-methylpyridin-3-yltrifluoromethanesulfonate, CS-0451192, (6-Methylpyridin-3-yl)trifluoromethanesulfonate, 2-methyl-5-(trifluoromethylsulfonyloxy)pyridine, H40326, 2-methyl-5-(trifluoromethanesulfonyloxy)pyridine, Trifluoromethanesulfonic acid 2-methyl-5-pyridinyl ester, Trifluoromethanesulfonic acid 2-methylpyridine-5-yl ester

Application

2-Methyl-5-pyridinetrifluoromethanesulfonate serves as a versatile building block in Pd-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, or Stille couplings) due to its reactive triflate group. It is employed in the synthesis of heterocyclic pharmaceuticals, particularly kinase inhibitors and CNS-active compounds. The methylpyridine scaffold also finds utility in ligand design for coordination chemistry and catalysis.

Safety and Hazards

GHS Hazard Statements

• H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (90.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.