ChemicalBook--->CAS DataBase List--->1779-60-8

1779-60-8

1779-60-8 Structure

1779-60-8 Structure
IdentificationBack Directory
[Name]

ACETOACETIC ACID N-PROPYL ESTER
[CAS]

1779-60-8
[Synonyms]

PROPYL ACETOACETATE
Propyl 3-oxobutanoate
Acetoacetic n-propyl ester
3-oxo-butanoicacipropylester
ACETOACETIC ACID PROPYL ESTER
ACETOACETIC ACID N-PROPYL ESTER
3-Oxobutanoic acid propyl ester
3-ketobutyric acid propyl ester
Propyl ester of 3-oxobutanoic acid
[EINECS(EC#)]

217-223-6
[Molecular Formula]

C7H12O3
[MDL Number]

MFCD00059405
[MOL File]

1779-60-8.mol
[Molecular Weight]

144.17
Chemical PropertiesBack Directory
[Melting point ]

158-160 °C(Solv: ethyl ether (60-29-7))
[Boiling point ]

194 °C
[density ]

1.01
[refractive index ]

1.4200-1.4240
[form ]

clear liquid
[pka]

10.69±0.46(Predicted)
[color ]

Colorless to Almost colorless
[InChI]

1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
[InChIKey]

DHGFMVMDBNLMKT-UHFFFAOYSA-N
[SMILES]

CCCOC(=O)CC(C)=O
[LogP]

0.877 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2918300090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Propyl Acetoacetate is used as a reagent in the synthesis of 3,4-dihydropyrimidin-2(1H)-ones as a novel class of potent and selective A2B adenosine receptor antagonists.
Spectrum DetailBack Directory
[Spectrum Detail]

ACETOACETIC ACID N-PROPYL ESTER(1779-60-8)MS
ACETOACETIC ACID N-PROPYL ESTER(1779-60-8)1HNMR
ACETOACETIC ACID N-PROPYL ESTER(1779-60-8)13CNMR
ACETOACETIC ACID N-PROPYL ESTER(1779-60-8)IR1
ACETOACETIC ACID N-PROPYL ESTER(1779-60-8)Raman
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