689092

Acetessigsäure-isopropylester

Arxada quality, ≥99.0% (GC)

• Lineare Formel: CH₃COCH₂COOCH(CH₃)₂
• CAS-Nummer: 542-08-5
• Molekulargewicht: 144.17
• Beilstein: 1757046
• EG-Nummer: 208-798-4
• MDL-Nummer: MFCD00043933
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 329761217
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 200
• Assay: ≥99.0% (GC)
• Form: liquid
• Qualität: Arxada quality
• Hersteller/Markenname: Arxada AG
• Verunreinigungen: ≤0.10% acid (as acetic acid); ≤0.10% water; ≤0.5% ethyl acetoacetate
• bp: 95 °C/52 hPa (lit.)
• Dichte: 0.989 g/mL at 20 °C (lit.)
• SMILES String: CC(C)OC(=O)CC(C)=O
• InChI: 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
• InChIKey: GVIIRWAJDFKJMJ-UHFFFAOYSA-N

Beschreibung

Anwendung

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.

Sicherheitshinweise

• Piktogramme: GHS07
• Signalwort: Warning
• H-Sätze: H315
• Gefahreneinstufungen: Skin Irrit. 2
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 1
• Flammpunkt (°F): 159.8 °F - closed cup
• Flammpunkt (°C): 71 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type ABEK (EN14387) respirator filter