| Identification | More | [Name]
Isopropyl acetoacetate | [CAS]
542-08-5 | [Synonyms]
ACIP
ISOPROPYL ACETOACETATE
3-oxo-butanoicaci1-methylethylester
3-Oxobutansαure-1-methylethylester
3-Oxo-butyricacidisopropylester
Acetoaceticacid,isopropylester
acetoaceticacidisopropylester
Butanoicacid,3-oxo-,1-methylethylester
Isopropyl3-oxobutanoate
Isopropyl3-oxobutyrate
Isopropyl acetoacetate(IPAA)
ISOPROPYL ACETOACETATE, WACKER QUALITY
IPAA
Isopropylacetoactetate
Isopropylacetoacetate,98%
Isopropylacetoacetat
3-oxo-butanoic acid 1-methylethyl ester
1-methyl-3-oxo-butanoic acid ethyl ester
3-Oxobutanoic acid isopropyl ester | [EINECS(EC#)]
208-798-4 | [Molecular Formula]
C7H12O3 | [MDL Number]
MFCD00043933 | [Molecular Weight]
144.17 | [MOL File]
542-08-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless Liquid | [Melting point ]
-27°C | [Boiling point ]
95 °C52 hPa(lit.) | [density ]
0.989 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.418
| [Fp ]
73°C | [storage temp. ]
Storage temp. 2-8°C | [solubility ]
Chloroform, Ethyl Acetate, Methanol, Toluene, | [form ]
Colourless Liquid | [pka]
11.67±0.46(Predicted) | [color ]
Colorless to Almost colorless | [Water Solubility ]
Slightly miscible with water. | [Usage]
Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet | [Merck ]
14,5206 | [BRN ]
1757046 | [InChI]
1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 | [InChIKey]
GVIIRWAJDFKJMJ-UHFFFAOYSA-N | [SMILES]
CC(C)OC(=O)CC(C)=O | [LogP]
1.060 (est) | [CAS DataBase Reference]
542-08-5(CAS DataBase Reference) | [EPA Substance Registry System]
542-08-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R38:Irritating to the skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
1
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29183000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless Liquid | [Uses]
Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet | [Uses]
Isopropyl acetoacetate is used as an intermediate for the manufacturing of agrochemicals and pharmaceutical products such as isradipine. | [Application]
Isopropyl acetoacetate can be used as a reactant to synthesize:
Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 26, p. 225, 1961 DOI: 10.1021/jo01060a055 | [Synthesis]
In a 500 ml flask equipped with stirring, a thermometer and a reflux condenser tube, 150 g (2.5 mol) of isopropanol and 0.36 g of triethylamine were added, and 210 g (2.5 mol) of bis(vinylidene) ketone was added dropwise at room temperature, and the react |
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