E50205

Ethyl 4,4,4-trifluoroacetoacetate

99%

• Sinônimo(s): ETFAA, Ethyl 3-oxo-4,4,4-trifluorobutyrate
• Fórmula linear: CF₃COCH₂CO₂C₂H₅
• Número CAS: 372-31-6
• Peso molecular: 184.11
• Beilstein: 608353
• Número CE: 206-750-7
• Número MDL: MFCD00000424
• Código UNSPSC: 12352100
• ID de substância PubChem: 24894598
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: 99%
• Formulário: liquid
• índice de refração: n20/D 1.375 (lit.)
• p.e.: 129-130 °C (lit.)
• densidade: 1.259 g/mL at 25 °C (lit.)
• cadeia de caracteres SMILES: 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
• chave InChI: OCJKUQIPRNZDTK-UHFFFAOYSA-N

Descrição

Aplicação

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.

Informações de segurança

• Pictogramas: GHS02,GHS07
• Palavra indicadora: Warning
• Frases de perigo: H226,H302,H412
• Declarações de precaução: P210 - P273 - P301 + P312 + P330
• Classificações de perigo: Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 2
• Ponto de fulgor (°F): 100.4 °F - closed cup
• Ponto de fulgor (°C): 38 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter