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| | Isopropyl acetoacetate Basic information |
| | Isopropyl acetoacetate Chemical Properties |
| 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 | | solubility | Chloroform, Ethyl Acetate, Methanol, Toluene, | | pka | 11.67±0.46(Predicted) | | form | Colourless Liquid | | color | Colorless to Almost colorless | | Water Solubility | Slightly miscible with water. | | Merck | 14,5206 | | BRN | 1757046 | | InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N | | LogP | 1.060 (est) | | CAS DataBase Reference | 542-08-5(CAS DataBase Reference) | | EPA Substance Registry System | Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5) |
| Hazard Codes | Xi | | Risk Statements | 38 | | Safety Statements | 26-36-24/25 | | WGK Germany | 1 | | TSCA | Yes | | HS Code | 29183000 |
| | Isopropyl acetoacetate Usage And Synthesis |
| 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 |
| | Isopropyl acetoacetate Preparation Products And Raw materials |
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