E50205

Ethyl 4,4,4-trifluoroacetoacetate

99%

• 동의어(들): ETFAA, Ethyl 3-oxo-4,4,4-trifluorobutyrate
• Linear Formula: CF₃COCH₂CO₂C₂H₅
• CAS Number: 372-31-6
• Molecular Weight: 184.11
• Beilstein: 608353
• EC Number: 206-750-7
• MDL number: MFCD00000424
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24894598
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 99%
• 양식: liquid
• refractive index: n20/D 1.375 (lit.)
• bp: 129-130 °C (lit.)
• density: 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
• InChI key: OCJKUQIPRNZDTK-UHFFFAOYSA-N

설명

애플리케이션

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.

안전성 정보

• 픽토그램: GHS02,GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H226,H302,H412
• 예방조치 성명서: P210 - P273 - P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point (°F): 100.4 °F - closed cup
• Flash Point (°C): 38 °C - closed cup
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter