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Ethyl 3-methyl-2-oxobutyrate

Name: Ethyl 3-methyl-2-oxobutyrate
Brand: ALDRICH

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853067

EC Number:

243-587-0

Beilstein/REAXYS Number:

1756668

MDL number:

MFCD00009122

Assay:

97%

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Properties

Quality Segment

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. 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

GHS02

signalword

Warning

hcodes

H226

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

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

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