CAS 1522-41-4

Butanoic acid, 2-fluoro-3-oxo-, ethyl ester

Description:

Butanoic acid, 2-fluoro-3-oxo-, ethyl ester, with the CAS number 1522-41-4, is an organic compound characterized by its ester functional group derived from butanoic acid. This compound features a fluoro substituent at the second carbon and a keto group at the third carbon of the butanoic acid chain, contributing to its unique reactivity and properties. It is typically a colorless to pale yellow liquid with a distinctive odor, indicative of its ester nature. The presence of the fluorine atom can enhance its polarity and influence its solubility in various solvents. Butanoic acid derivatives are often studied for their applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. The compound's reactivity may be affected by the electron-withdrawing nature of the fluorine atom, which can impact its behavior in chemical reactions, such as nucleophilic attacks. Safety data should be consulted for handling, as esters can be irritants and may pose environmental hazards.

Formula: C₆H₉FO₃

InChI: InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChI key: InChIKey=SHTFQLHOTAJQRJ-UHFFFAOYSA-N

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

Synonyms:

• 2-Fluoro-3-Oxo-Butanoic Acid Ethyl Ester
• 2-Fluoro-3-Oxo-Butyric Acid Ethyl Ester
• 2-Fluoro-3-oxobutanoic acid ethyl ester
• 2-Fluoroacetoacetic Acid Ethyl Ester
• 3-[1,2,2,2-Tetrafluoro-1-(Trifluoromethyl)Ethoxy]Prop-1-Ene
• Acetoacetic acid, 2-fluoro-, ethyl ester
• Acetoacetic acid, fluoro-, ethyl ester
• Butanoic acid, 2-fluoro-3-oxo-, ethyl ester
• Butyric Acid, 2-Fluoro-3-Oxo-, Ethyl Ester
• Ethyl 2-Fluoro-3-Oxobutyrate
• Ethyl-2-Fluoro-3-Oxobutanoate
• Fluoroacetoacetic Acid Ethyl Ester
• NSC 24563
• ethyl (2R)-2-fluoro-3-oxobutanoate

Ethyl 2-Fluoroacetoacetate

CAS: 1522-41-4

Formula: C₆H₉FO₃

Purity: >95.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 148.13

Ref: 3B-F0471

Ethyl 2-fluoro-3-oxobutanoate

CAS: 1522-41-4

Formula: C₆H₉FO₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 148.1323

Ref: IN-DA003Q44

Ethyl 2-fluoroacetoacetate

CAS: 1522-41-4

Ethyl 2-fluoroacetoacetate

Purity: 97%

Color and Shape: Colourless Liquid

Molecular weight: 148.13g/mol

Ref: 54-PC0995

Ethyl 2-fluoroacetoacetate

CAS: 1522-41-4

Formula: C₆H₉FO₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 148.133

Ref: 10-F008668

Ethyl 2-fluoroacetoacetate

CAS: 1522-41-4

Ethyl 2-fluoroacetoacetate is a phosphorus oxychloride synthon that can be used to synthesize fluorinated compounds. It has been shown to react with a carbonyl group, like tyrosine, in the presence of an organocatalyst to form a tetrafluoroborate ester. The reaction mechanism of this compound is intramolecular hydrogen transfer from the phosphite oxygen atom to the electrophilic carbon atom. Ethyl 2-fluoroacetoacetate has been shown to react with alkyl halides and hydroxyl groups in the presence of base, forming enantiomeric alcohols. This compound has also been shown to have optical properties that are stable at room temperature and pressure, including infrared absorption maxima at 1740 cm-1 and 1775 cm-1 as well as ultraviolet absorption maxima at 225 nm and 254 nm.

Formula: C₆H₉FO₃

Purity: Min. 95%

Molecular weight: 148.13 g/mol

Ref: 3D-FE78200