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Sigma-Aldrich

Ethyl 3-methyl-2-oxobutyrate

97%

Synonym(s):

Ethyl dimethylpyruvate, Ketovaline ethyl ester

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About This Item

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

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.)

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

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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.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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The synthesis of (2S, 4S, 5S)-5-(N-BOC)-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid lactone, an hydroxyethylene dipeptide isostere precusor.
Chakravarty PK, et al.
Tetrahedron Letters, 30(4), 415-418 (1989)
Conformational isomerism of a-ketoesters. A FTIR and ab initio study.
Ferri D, et al.
J. Chem. Soc. Perkin Trans. II, 2, 221-227 (2000)
A convenient allylation of 1, n-dicarbonyl compounds using organoindium reagents.
Lee PH, et al.
Bull. Korean Chem. Soc., 22(12), 1380-1384 (2001)

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