PRODUCT Properties
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 |
LogP | 1.584 (est) |
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) |
Description and Uses
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.
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.
Safety
Symbol(GHS) | GHS07 |
Signal word | Warning |
Hazard statements | H315-H319-H335 |
Precautionary statements | P261-P305+P351+P338 |
Safety Statements | 23-24/25 |
WGK Germany | 3 |
HS Code | 2918300090 |