589098

Methyl 4-oxobutanoate

90%

• Synonym(s): β-(Methoxycarbonyl)propionaldehyde, β-Carbomethoxypropionaldehyde, 3-(Methoxycarbonyl)propanal, 3-(Methoxycarbonyl)propionaldehyde, 3-Carbomethoxypropionaldehyde, 3-Formylpropionic acid methyl ester, 4-Oxobutanoic acid methyl ester
• Linear Formula: H₃COCOCH₂CH₂CHO
• CAS Number: 13865-19-5
• Molecular Weight: 116.12
• MDL number: MFCD00082185
• UNSPSC Code: 12352100
• PubChem Substance ID: 24881057
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 90%
• impurities: ≤10% 4-oxobutanoic acid
• refractive index: n20/D 1.424 (lit.)
• bp: 187-188 °C (lit.)
• density: 1.109 g/mL at 25 °C (lit.)
• functional group: aldehyde; ester
• storage temp.: 2-8°C
• SMILES string: [H]C(=O)CCC(=O)OC
• InChI: 1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3

Description

Application

Methyl 4-oxobutanoate may be used as a starting material to synthesize (-)-deoxoprosophylline, a piperidine alkaloid with therapeutic potential.[1]

Methyl 4-oxobutanoate used in asymmetric synthesis:

• to produce 1-hydroxymethylpyrrolizidine alkaloids [2]
• of (+)-isoretronecanol, (-)-isoretronecanol, (+)-laburnine, and (-)-trachelanthamidine [2]

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 187.0 °F
• Flash Point(C): 86.1 °C