Description

Prop-2-yn-1-yl methanesulfonate (CAS No. 16156-58-4) is a high-purity chemical compound with the molecular formula C₄H₆O₃S. This specialized reagent, also known as propargyl mesylate, is widely utilized in organic synthesis and pharmaceutical research due to its reactive alkyne and sulfonate functional groups. The compound is characterized by its clear to pale-yellow appearance and is supplied as a liquid under standard conditions. With a molecular weight of 134.15 g/mol, it offers excellent reactivity in nucleophilic substitution reactions, cross-coupling processes, and as a precursor for advanced intermediates. Ideal for laboratory and industrial-scale applications, our product undergoes rigorous QC testing to ensure ≥95% purity (GC), meeting the stringent demands of researchers and process chemists. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 16156-58-4
• Complexity: 187
• IUPAC Name: prop-2-ynyl methanesulfonate
• InChI: InChI=1S/C4H6O3S/c1-3-4-7-8(2,5)6/h1H,4H2,2H3
• InChI Key: OWAHJGWVERXJMI-UHFFFAOYSA-N
• Exact Mass: 134.00376522
• Molecular Formula: C4H6O3S
• Molecular Weight: 134.16
• SMILES: CS(=O)(=O)OCC#C
• Topological: 51.8
• Monoisotopic Mass: 134.00376522
• Synonyms: prop-2-yn-1-yl methanesulfonate, 808-222-7, 16156-58-4, prop-2-ynyl methanesulfonate, Propargyl Methanesulfonate Ester, propargyl mesylate, 2-Propyn-1-ol, 1-methanesulfonate, Propargyl Methanesulfonate Ester, 95%, 2-propynyl methanesulfonate, MFCD09841205, NSC-203079, Propargyl Methanesulfonate Ester, 95per cent, Propargyl methanesulfonate ester,95, 2-Propyn-1-ol, methanesulfonate, METHANESULFONIC ACID PROP-2-YNYL ESTER, NSC203079, propargyl methanesulfonate, BV66GM4EXZ, Propargyl methane sulfonate, 2-propinyl methanesulfonate, PropargylMethanesulfonateEster, SCHEMBL433017, 2-Propyn-1-yl Methanesulfonate, Prop-2-yn-1-ylmethanesulfonate, DTXSID70308323, BCP27865, AKOS006329411, FP27194, s11862, BS-52439, SY226265, CS-0158537, PROPARGYL METHANESULFONATE ESTER, 95, EN300-206238, Methanesulfonic acid prop-2-ynyl ester;NSC 203079, 2-Propynyl methanesulfonate, >=99.5%, acid <200 ppm, H2O <100 ppm

Application

Prop-2-yn-1-yl methanesulfonate serves as a versatile building block in medicinal chemistry for the synthesis of alkyne-functionalized bioactive molecules. It is employed in click chemistry reactions, particularly copper-catalyzed azide-alkyne cycloadditions (CuAAC), to create triazole scaffolds. The compound also acts as an alkylating agent in the development of prodrugs and polymerizable monomers for advanced material science applications.

Safety and Hazards

GHS Hazard Statements

• H301 (71.4%): Toxic if swallowed [Danger Acute toxicity, oral]
• H314 (28.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (71.4%)
• Skin Corr. 1B (28.6%)
• Skin Irrit. 2 (71.4%)
• Eye Irrit. 2 (14.3%)

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