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20201-24-5

20201-24-5 Structure

20201-24-5 Structure
IdentificationBack Directory
[Name]

ETHYL 3-METHYL-2-OXOBUTYRATE
[CAS]

20201-24-5
[Synonyms]

KETOVALINE ETHYL ESTER
ethyl dimethylpyruvate
ethyl 2-methyl-2-oxobutyrate
ETHYL 3-METHYL-2-OXOBUTYRATE
Ethyl 2-oxo-3-methylbutyrate
ethyle3-methyl-2-oxobutyrate
Ethyl 2-oxo-3-methylbutanoate
Ethyl 3-methyl-2-oxobutyrate,95%
Ethyl 3-methyl-2-oxobutyrate 97%
2-Oxoisovaleric acid ethyl ester
2-Oxyisovaleric acid ethyl ester
Ethyl 3-Methyl-2-oxobutyrate, 95% 5GR
3-Methyl-2-oxobutyric acid ethyl ester
3-Methyl-2-oxobutanoic acid ethyl ester
Ethyl dimethylpyruvate, Ketovaline ethyl ester
Ethyl 3-methyl-2-oxobutyrateKetovaline ethyl ester
[EINECS(EC#)]

243-587-0
[Molecular Formula]

C7H12O3
[MDL Number]

MFCD00009122
[MOL File]

20201-24-5.mol
[Molecular Weight]

144.17
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Boiling point ]

62 °C11 mm Hg(lit.)
[density ]

0.989 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.410(lit.)
[Fp ]

110 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[color ]

Clear light yellow
[Water Solubility ]

Slightly soluble in water.
[BRN ]

1756668
[InChI]

InChI=1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3
[InChIKey]

CKTYYUQUWFEUCO-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(=O)C(C)C
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid
[Uses]

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.
[Uses]

Ethyl dimethylpyruvate is used as an allyl halide reactant in the presence of indium to release hydroxy unsaturated carbonyl compounds. It was also used in the synthesis of (2SR,4SR)-5(S)-(N-Boc)-amino-6-cyclohexyl-4-hydoxy-2-isopropyl hexanoic acid.
[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.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29183000
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3-METHYL-2-OXOBUTYRATE(20201-24-5)MS
ETHYL 3-METHYL-2-OXOBUTYRATE(20201-24-5)1HNMR
ETHYL 3-METHYL-2-OXOBUTYRATE(20201-24-5)IR1
ETHYL 3-METHYL-2-OXOBUTYRATE(20201-24-5)Raman
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