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/REAXYS Number: 1756668
• EC Number: 243-587-0
• MDL number: MFCD00009122
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853067
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.410 (lit.)
• bp: 62 °C/11 mmHg (lit.)
• density: 0.989 g/mL at 25 °C (lit.)
• functional group: ester; ketone
• 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[1]. Conformational behaviour of ethyl 3-methyl-2-oxobutyrate was investigated using solution FTIR in combination with ab initio calculations[2].

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[3].

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 109.4 °F - closed cup
• flash_point_c: 43 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter