CAS 172516-46-0

ethyl 6,6-dimethyl-3-(methylsulfonyl)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

Description:

Ethyl 6,6-dimethyl-3-(methylsulfonyl)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate, with the CAS number 172516-46-0, is a synthetic organic compound characterized by its complex structure, which includes a benzo[c]thiophene core. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and incorporates a carboxylate ester functional group, which contributes to its reactivity and solubility properties. The presence of a methylsulfonyl group enhances its potential for biological activity, possibly influencing its pharmacological properties. The dimethyl substitution at the 6-position of the thiophene ring suggests steric hindrance, which may affect its interactions with biological targets. Ethyl esters are generally known for their moderate volatility and solubility in organic solvents, making this compound potentially useful in various applications, including medicinal chemistry and agrochemicals. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical determination or literature reference for precise values.

Formula: C₁₄H₁₈O₅S₂

InChI: InChI=1/C14H18O5S2/c1-5-19-12(16)11-8-6-14(2,3)7-9(15)10(8)13(20-11)21(4,17)18/h5-7H2,1-4H3

SMILES: CCOC(=O)c1c2CC(C)(C)CC(=O)c2c(s1)S(=O)(=O)C

Synonyms:

• Ethyl 6,6-Dimethyl-3-(Methylsulfonyl)-4-Oxo-4,5,6,7-Tetrahydro-2-Benzothiophene-1-Carboxylate

ethyl 6,6-dimethyl-3-(methylsulphonyl)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

CAS: 172516-46-0

ethyl 6,6-dimethyl-3-(methylsulphonyl)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

Purity: ≥95%

Molecular weight: 330.42g/mol

Ref: 54-OR25308