Description

Methyl Prop-2-ynyl Carbonate (CAS No. 61764-71-4) is a high-purity organic carbonate ester with the molecular formula C₅H₆O₃. This specialized chemical compound is widely utilized in synthetic organic chemistry, particularly in the development of advanced intermediates for pharmaceuticals, agrochemicals, and polymer applications. Its unique structure, featuring both a methyl carbonate group and a reactive prop-2-ynyl (propargyl) moiety, makes it a versatile building block for click chemistry, cross-coupling reactions, and other functionalization strategies. Our product is rigorously tested to ensure superior quality, with stringent controls for purity, stability, and consistency, making it an ideal choice for research and industrial applications requiring precision and reliability.

Properties

• CAS Number: 61764-71-4
• Complexity: 119
• IUPAC Name: methyl prop-2-ynyl carbonate
• InChI: InChI=1S/C5H6O3/c1-3-4-8-5(6)7-2/h1H,4H2,2H3
• InChI Key: AUUBCQYRIBDKHO-UHFFFAOYSA-N
• Exact Mass: 114.031694049
• Molecular Formula: C5H6O3
• Molecular Weight: 114.10
• SMILES: COC(=O)OCC#C
• Topological: 35.5
• Monoisotopic Mass: 114.031694049
• Synonyms: Methyl Prop-2-ynyl Carbonate, 61764-71-4, DTXSID30447525, DTXCID30398346, Carbonic acid, methyl 2-propynyl ester, methyl propargyl carbonate, SCHEMBL577188, SCHEMBL964826, SCHEMBL4972470, MFCD21604668, AKOS032960839, DB-320098, G83826

Application

Methyl Prop-2-ynyl Carbonate serves as a key intermediate in organic synthesis, particularly in the preparation of propargyl derivatives for pharmaceutical and material science applications. It is commonly employed in click chemistry reactions, such as copper-catalyzed azide-alkyne cycloadditions (CuAAC), due to its reactive alkyne functionality. Additionally, this compound finds use in polymer chemistry as a crosslinking agent or monomer for designing advanced polymeric materials with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 3 (100%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2A (33.3%)
• STOT SE 3 (33.3%)

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