Ethyl 3-methyl-2-oxobutyrate
Synonym(s):Ethyl dimethylpyruvate;Ketovaline ethyl ester
- CAS NO.：20201-24-5
- Empirical Formula: C7H12O3
- Molecular Weight: 144.17
- MDL number: MFCD00009122
- EINECS: 243-587-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-02-29 17:14:10
What is Ethyl 3-methyl-2-oxobutyrate?
Chemical properties
clear light yellow liquid
The Uses of Ethyl 3-methyl-2-oxobutyrate
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.
The Uses of Ethyl 3-methyl-2-oxobutyrate
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.
What are the applications of Application
Ethyl 3-methyl-2-oxobutyrate is An allyl halide reactant in the presence of indium to release hydroxy unsaturated carbonyl compounds
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.
Properties of Ethyl 3-methyl-2-oxobutyrate
| Boiling point: | 62 °C/11 mmHg (lit.) |
| Density | 0.989 g/mL at 25 °C (lit.) |
| refractive index | n |
| 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 |
Safety information for Ethyl 3-methyl-2-oxobutyrate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
Computed Descriptors for Ethyl 3-methyl-2-oxobutyrate
| InChIKey | CKTYYUQUWFEUCO-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(=O)C(C)C |
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