E50205

4,4,4-Trifluoracetessigsäureethylester

99%

• Synonym(e): 3-Oxo-4,4,4-trifluor-buttersäure-ethylester
• Lineare Formel: CF₃COCH₂CO₂C₂H₅
• CAS-Nummer: 372-31-6
• Molekulargewicht: 184.11
• Beilstein: 608353
• EG-Nummer: 206-750-7
• MDL-Nummer: MFCD00000424
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24894598
• NACRES: NA.22

Eigenschaften

• Assay: 99%
• Form: liquid
• Brechungsindex: n20/D 1.375 (lit.)
• bp: 129-130 °C (lit.)
• Dichte: 1.259 g/mL at 25 °C (lit.)
• SMILES String: CCOC(=O)CC(=O)C(F)(F)F
• InChI: 1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
• InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N

Beschreibung

Anwendung

Ethyl 4,4,4-trifluoroacetoacetate (ETFAA) is a general reagent to synthesize enantiopure trifluoromethyl-functionalized products. Applications include:

• Synthesis of (S)- and (R)-α-trifluoromethyl-aspartic acid and α- trifluoromethyl-serine from chiral CF₃-oxazolidines, which is derived from ETFAA.
• Enantiopure synthesis of trifluoromethyl-β-amino acid derivatives.
• Synthesis of (2R)-2-trifluoromethyl-2-carboxyazetidine, (R)- and (S)-trifluoromethylhomoserines from oxazolidine intermediate obtained by condensing (R)-phenylglycinol with ETFAA.

Sicherheitshinweise

• Piktogramme: GHS02,GHS07
• Signalwort: Warning
• H-Sätze: H226,H302,H412
• P-Sätze: P210 - P273 - P301 + P312 + P330
• Gefahreneinstufungen: Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 2
• Flammpunkt (°F): 100.4 °F - closed cup
• Flammpunkt (°C): 38 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter