218456

Ethyl 3-methyl-2-oxobutyrate

97%

• Synonym(s): Ethyl dimethylpyruvate, Ketovaline ethyl ester
• Linear Formula: (CH₃)₂CHCOCOOCH₂CH₃
• CAS Number: 20201-24-5
• Molecular Weight: 144.17
• Beilstein: 1756668
• EC Number: 243-587-0
• MDL number: MFCD00009122
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853067
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.410 (lit.)
• bp: 62 °C/11 mmHg (lit.)
• density: 0.989 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CCOC(=O)C(=O)C(C)C
• InChI: 1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3
• InChI key: CKTYYUQUWFEUCO-UHFFFAOYSA-N

Description

General description

Ethyl 3-methyl-2-oxobutyrate reacts with a variety of allyl halides in the presence of indium to afford hydroxy unsaturated carbonyl compounds. Conformational behaviour of ethyl 3-methyl-2-oxobutyrate was investigated using solution FTIR in combination with ab initio calculations.

Application

Ethyl 3-methyl-2-oxobutyrate was used in the synthesis of (2SR,4SR)-5(S)-(N-Boc)-amino-6-cyclohexyl-4-hydoxy-2-isopropyl hexanoic acid.

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 109.4 °F - closed cup
• Flash Point(C): 43 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves