CAS 13771-69-2: Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate

Description: Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate is a chemical compound characterized by its unique structure, which includes a thiophene ring fused with a benzene ring and a carboxylate ester functional group. The presence of a fluorine atom at the 5-position of the thiophene ring enhances its reactivity and can influence its electronic properties, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The ethyl ester group contributes to its solubility and reactivity, allowing for potential derivatization in synthetic pathways. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its molecular interactions can be influenced by the presence of the fluorine atom, which can affect hydrogen bonding and dipole moments. Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate is often studied for its potential biological activities and as a building block in organic synthesis, particularly in the development of novel compounds with desired pharmacological properties.

Formula: C₁₁H₉FO₂S

InChI: InChI=1S/C11H9FO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3

InChI key: InChIKey=PQGYDIBMOHLOAA-UHFFFAOYSA-N

SMILES: O=C(OCC)C=1SC=2C=CC(F)=CC2C1

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester
• Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate
• Ethyl-5-fluor-1-benzothiophen-2-carboxylat

Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate

CAS: 13771-69-2

• Purity: 95.0%
• Molecular weight: 224.25

Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate

CAS: 13771-69-2

Versatile small molecule scaffold

• Formula: C₁₁H₉FO₂S
• Purity: Min. 95%
• Molecular weight: 224.25 g/mol