CAS 92539-89-4

Methyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Description:

Methyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, with the CAS number 92539-89-4, is a chemical compound characterized by its complex structure, which includes a benzo[b]thiophene core fused with a tetrahydro configuration. This compound features an acetylamino group and a carboxylate ester, contributing to its potential reactivity and solubility properties. It is typically a solid at room temperature and may exhibit moderate polarity due to the presence of functional groups. The presence of the thiophene ring suggests potential applications in organic electronics or as a building block in pharmaceuticals, given the biological relevance of thiophene derivatives. Its synthesis may involve multi-step organic reactions, and it can be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks or environmental hazards.

Formula: C₁₂H₁₅NO₃S

InChI: InChI=1S/C12H15NO3S/c1-7(14)13-11-10(12(15)16-2)8-5-3-4-6-9(8)17-11/h3-6H2,1-2H3,(H,13,14)

InChI key: InChIKey=IAFHDBSDVMOFOL-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C2=C(SC1NC(C)=O)CCCC2

Synonyms:

• Methyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• Methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate
• Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-, methyl ester
• 2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester