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Ethyl 3-methyl-2-oxobutyrate

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Ethyl 3-methyl-2-oxobutyrate Basic information

Product Name:
Ethyl 3-methyl-2-oxobutyrate
Synonyms:
  • N-butyl-N-[(diphenylmethylene)amino]aniline
  • ETHYL 3-METHYL-2-OXOBUTYRATE
  • KETOVALINE ETHYL ESTER
  • 2-Oxoisovaleric acid ethyl ester
  • 2-Oxyisovaleric acid ethyl ester
  • 3-Methyl-2-oxobutanoic acid ethyl ester
  • 3-Methyl-2-oxobutyric acid ethyl ester
  • Ethyl 2-oxo-3-methylbutanoate
CAS:
20201-24-5
MF:
C7H12O3
MW:
144.17
EINECS:
243-587-0
Product Categories:
  • Building Blocks
  • C6 to C7
  • Carbonyl Compounds
  • Chemical Synthesis
  • Esters
  • Organic Building Blocks
Mol File:
20201-24-5.mol
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Ethyl 3-methyl-2-oxobutyrate Chemical Properties

Boiling point:
62 °C/11 mmHg (lit.)
Density 
0.989 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.410(lit.)
Flash point:
110 °F
storage temp. 
2-8°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
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Safety Information

Risk Statements 
10
Safety Statements 
16
RIDADR 
UN 3272 3/PG 3
WGK Germany 
3
HazardClass 
3.2
PackingGroup 
III
HS Code 
29183000

MSDS

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Ethyl 3-methyl-2-oxobutyrate Usage And Synthesis

Chemical Properties

clear light yellow liquid

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.

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.

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.

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