CAS 1076198-05-4

Ethyl 2,2-difluoro-2-mercaptoacetate

Description:

Ethyl 2,2-difluoro-2-mercaptoacetate is a chemical compound characterized by the presence of both fluorine and thiol functional groups. It features a mercapto (–SH) group, which imparts nucleophilic properties, making it reactive in various chemical reactions, particularly in the formation of disulfides or in substitution reactions. The difluoro substituents enhance its electrophilic character, potentially increasing its reactivity towards nucleophiles. This compound is typically a colorless to pale yellow liquid, and its molecular structure includes an ethyl ester group, contributing to its solubility in organic solvents. Ethyl 2,2-difluoro-2-mercaptoacetate may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its unique reactivity profile. Safety considerations should be taken into account, as compounds containing thiol groups can be malodorous and may pose health risks if not handled properly. Overall, its distinctive chemical properties make it a valuable intermediate in various chemical syntheses.

Formula: C₄H₆F₂O₂S

InChI: InChI=1S/C4H6F2O2S/c1-2-8-3(7)4(5,6)9/h9H,2H2,1H3

InChI key: InChIKey=LJLQSFIWPSUAAD-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2,2-difluoro-2-mercaptoacetate
• Acetic acid, 2,2-difluoro-2-mercapto-, ethyl ester