CAS 854357-40-7

Benzo[b]thiophene-2-carboxylic acid, 3-(bromomethyl)-4-fluoro-, ethyl ester

Description:

Benzo[b]thiophene-2-carboxylic acid, 3-(bromomethyl)-4-fluoro-, ethyl ester is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene core, a carboxylic acid functional group, and an ethyl ester moiety. The presence of a bromomethyl group and a fluorine atom at specific positions on the aromatic ring contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is likely to exhibit properties typical of thiophene derivatives, such as moderate solubility in organic solvents and potential biological activity due to the presence of halogen substituents. Its molecular structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it a valuable intermediate in the synthesis of more complex molecules. Additionally, the compound's unique functional groups may impart specific pharmacological properties, warranting further investigation for potential therapeutic applications. As with many synthetic organic compounds, safety and handling precautions should be observed due to the presence of halogens and the potential for reactivity.

Formula: C₁₂H₁₀BrFO₂S

InChI: InChI=1S/C12H10BrFO2S/c1-2-16-12(15)11-7(6-13)10-8(14)4-3-5-9(10)17-11/h3-5H,2,6H2,1H3

InChI key: InChIKey=VLWGPIATBMFMEW-UHFFFAOYSA-N

SMILES: C(Br)C=1C=2C(SC1C(OCC)=O)=CC=CC2F

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 3-(bromomethyl)-4-fluoro-, ethyl ester
• Ethyl 3-(bromomethyl)-4-fluorobenzo[b]thiophene-2-carboxylate

Ethyl 3-(bromomethyl)-4-fluoro-1-benzothiophene-2-carboxylate

CAS: 854357-40-7

Versatile small molecule scaffold

Formula: C₁₂H₁₀BrFO₂S

Purity: Min. 95%

Molecular weight: 317.18 g/mol

Ref: 3D-EJB35740