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1522-46-9

1522-46-9 Structure

1522-46-9 Structure
IdentificationMore
[Name]

Ethyl 2-isopropylacetoacetate
[CAS]

1522-46-9
[Synonyms]

ETHYL 2-ISO-PROPYLACETOACETATE
ETHYL A-ISOPROPYLACETOACETATE
ETHYL-ALPHA-ISOPROPYLACETOACETATE
ETHYL-ISO-PROPYLACETOACETATE
2-Isopropylacetoacetic acid ethyl ester
Acetoacetic acid, 2-isopropyl-, ethyl ester
Ethyl 2-acetyl-3-methylbutanoate
ethyl 2-acetyl-3-methylbutyrate
α-isopropylacetoacetic acid ethyl ester
2-Acetyl-3-methylbutyric acid ethyl ester
2-Isopropyl-3-oxobutanoic acid ethyl ester
Butanoic acid, 2-acetyl-3-methyl-, ethyl ester
[EINECS(EC#)]

216-192-6
[Molecular Formula]

C9H16O3
[MDL Number]

MFCD00042884
[Molecular Weight]

172.22
[MOL File]

1522-46-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

82-85 °C/12 mmHg (lit.)
[density ]

0.962 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.425
[Fp ]

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)
Safety DataBack Directory
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2918300090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

D-Valine-->3,5-DIMETHYL-3-HEXANOL-->3-methyl-4-(propan-2-yl)-2,5-dihydro-1,2-oxazol-5-one-->ethyl 2-isopropyl-acrylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 2-isopropylacetoacetate(1522-46-9).msds
Hazard InformationBack Directory
[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.
[Uses]

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.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1522-46-9(sigmaaldrich)
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