CAS 25597-16-4

Ethyl (2E)-4,4,4-trifluoro-2-butenoate

Description:

Ethyl (2E)-4,4,4-trifluoro-2-butenoate is an organic compound characterized by its unique trifluoromethyl group and an ester functional group. It features a butenoate backbone, which includes a double bond between the second and third carbon atoms, contributing to its reactivity and potential applications in organic synthesis. The presence of three fluorine atoms on the fourth carbon enhances the compound's lipophilicity and stability, making it of interest in various chemical reactions, including nucleophilic substitutions and polymerizations. This compound is typically a colorless liquid at room temperature and may have a distinctive odor. Its properties, such as boiling point, melting point, and solubility, are influenced by the fluorinated substituents, which can also impart unique characteristics like increased electronegativity and altered intermolecular interactions. Ethyl (2E)-4,4,4-trifluoro-2-butenoate is utilized in the synthesis of pharmaceuticals and agrochemicals, showcasing its importance in both industrial and research applications. Safety data should be consulted for handling and storage, as fluorinated compounds can exhibit specific hazards.

Formula: C₆H₇F₃O₂

InChI: InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+

InChI key: InChIKey=ZKRJCMKLCDWROR-ONEGZZNKSA-N

SMILES: C(/C=C/C(F)(F)F)(OCC)=O

Synonyms:

• (E)-Ethyl 4,4,4-trifluorobut-2-enoate
• 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-
• 2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (E)-
• 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecan-1-Ol
• Ethyl (2E)-4,4,4-trifluoro-2-butenoate
• Ethyl (E)-4,4,4-trifluorocrotonate
• Ethyl 4,4,4-trifluorocrotonate
• Ethyl trans-4,4,4-trifluoro-2-butenoate
• Ethyl trans-4,4,4-trifluorocrotonate
• ethyl (2E)-4,4,4-trifluorobut-2-enoate

Ethyl 4,4,4-trifluorocrotonate, 98%

CAS: 25597-16-4

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₆H₇F₃O₂

Purity: 98%

Color and Shape: Clear colorless

Molecular weight: 168.12

Ref: 02-L10285

Ethyl 4,4,4-trifluorobut-2-enoate

CAS: 25597-16-4

Formula: C₆H₇F₃O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 168.1138

Ref: IN-DA003Q9E

Ethyl trans-4,4,4-trifluorocrotonate

CAS: 25597-16-4

Ethyl trans-4,4,4-trifluorocrotonate

Formula: C₆H₇F₃O₂

Purity: 98%

Color and Shape: clear. colourless liquid

Molecular weight: 168.11g/mol

Ref: 54-PC3282

Ethyl 4,4,4-Trifluorocrotonate

CAS: 25597-16-4

Formula: C₆H₇F₃O₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 168.12

Ref: 3B-E0772

Ethyl 4,4,4-trifluorocrotonate

CAS: 25597-16-4

Formula: C₆H₇F₃O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 168.115

Ref: 10-F001456

Ethyl Trifluorocrotonate-13C3

Controlled Product

CAS: 25597-16-4

Applications Ethyl Trifluorocrotonate-3(13C) is the labeled version of Ethyl trans-4,4,4-Trifluorocro (E930455), which is an intermediate used in the synthesis of various pharmaceutically active molecules and agricultural products. It can also be used in the synthesis of novel amino trifluoromethyl cyclopropane carboxylic acid derivatives in the presence of nucleophilic reagents.
References Keita, M. et al.: Tetrahedron, 69, 3308 (2013)

Formula: C₄C₂H₇F₃O₂

Color and Shape: Neat

Molecular weight: 172.084

Ref: TR-E931305