713309

Methyl 2-oxobutanoate

95%

• Synonym(s): 2-Oxobutyric acid methyl ester, Methyl 2-ketobutyrate
• Empirical Formula (Hill Notation): C₅H₈O₃
• CAS Number: 3952-66-7
• Molecular Weight: 116.12
• Beilstein/REAXYS Number: 1749847
• MDL number: MFCD03093092
• UNSPSC Code: 12352100
• PubChem Substance ID: 329763189
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: ≥95.0% (GC); 95%
• form: liquid
• impurities: ≤1.0% water
• SMILES string: CCC(=O)C(=O)OC
• InChI: 1S/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3
• InChI key: XPIWVCAMONZQCP-UHFFFAOYSA-N

Description

Application

Methyl 2-oxobutanoate can be used as a starting material:

• To synthesize indole derivatives via Fischer indolization of arylhydrazines using propylphosphonic anhydride.
• In the synthesis of (−)-picrotoxinin, a natural product and neurotoxic sesquiterpenoid.
• To prepare the core structure of phalarine, a natural product found in perennial grass.

Safety Information

• pictograms: GHS02,GHS05
• signalword: Danger
• hcodes: H226,H315,H318
• pcodes: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 122.0 °F
• flash_point_c: 50 °C
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter