269697

Ethyl 4,4,4-trifluorocrotonate

98%

• Synonym(s): Ethyl 4,4,4-trifluoro-2-butenoate
• Linear Formula: CF₃CH=CHCO₂C₂H₅
• CAS Number: 406-10-0
• Molecular Weight: 168.11
• MDL number: MFCD00009903
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856340
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.3601 (lit.)
• bp: 114-115 °C (lit.)
• density: 1.125 g/mL at 25 °C (lit.)
• functional group: ester; fluoro
• SMILES string: CCOC(=O)\C=C\C(F)(F)F
• InChI: 1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
• InChI key: ZKRJCMKLCDWROR-ONEGZZNKSA-N

Description

General description

The Michael reaction between ethyl 4,4,4-trifluorocrotonate and a Ni(II) complex of the Schiff base of glycine with (S)-o-[N-(N-benzylprolyl)amino]benzophenone was studied[1].

Application

Ethyl 4,4,4-trifluorocrotonate was used in the synthesis of (2S,3S)-3-methyl- and (2S,3S)-3-trifluoromethylpyroglutamic acid. It undergoes diastereoselective Michael addition reaction with ethyl crotonate[2].

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 78.8 °F - closed cup
• flash_point_c: 26 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter