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: 2024-03-11 16:47:23

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	n20/D 1.425
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.