Ethyl 2-isopropylacetoacetate
- CAS NO.：1522-46-9
- Empirical Formula: C9H16O3
- Molecular Weight: 172.22
- MDL number: MFCD00042884
- EINECS: 216-192-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-04 15:11:54
What is Ethyl 2-isopropylacetoacetate?
Description
Ethyl 2-isopropylacetoacetate is a β-keto ester compound with an isopropyl substitution at the α-position between the two carbonyls. It is potentially useful as in synthetic applications as a precursor to α,α-disubstituted β-keto esters, and the α-Me and α-Et analogs have been used in the preparation of stereodefined α,α-disubstituted amino acids.
The Uses of Ethyl 2-isopropylacetoacetate
Ethyl 2-Isopropylacetoacetate is a reactant in the preparation of nonracemic arylhydroxymethylpyrrolidinylmethylphenyl thiazoleacetamides and cyclopentathiazolecarboxamides as conformationally restricted β3-adrenoceptor agonists as a potential treatment for overactive bladder.
Properties of Ethyl 2-isopropylacetoacetate
| Boiling point: | 82-85 °C/12 mmHg (lit.) |
| Density | 0.962 g/mL at 20 °C (lit.) |
| refractive index | n |
| Flash point: | 76 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform, Ethyl Acetate |
| form | Oil |
| pka | 12.28±0.46(Predicted) |
| color | Clear Colorless |
| BRN | 636360 |
| CAS DataBase Reference | 1522-46-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 2-acetyl-3-methyl-, ethyl ester(1522-46-9) |
| EPA Substance Registry System | Ethyl 2-isopropylacetoacetate (1522-46-9) |
Safety information for Ethyl 2-isopropylacetoacetate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Ethyl 2-isopropylacetoacetate
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