CAS 869945-06-2

4,5,6,7-Tetrahydro-5-methylbenzo[b]thiophene-2-carbonyl chloride

Description:

4,5,6,7-Tetrahydro-5-methylbenzo[b]thiophene-2-carbonyl chloride is a chemical compound characterized by its unique bicyclic structure, which includes a thiophene ring fused to a cyclohexane-like system. This compound features a carbonyl chloride functional group, which is known for its reactivity, particularly in acylation reactions. The presence of the methyl group at the 5-position of the benzo[b]thiophene moiety contributes to its hydrophobic characteristics and may influence its biological activity. The compound is typically used in organic synthesis and may serve as an intermediate in the preparation of various pharmaceuticals or agrochemicals. Its reactivity as an acyl chloride allows it to participate in nucleophilic substitution reactions, making it valuable in the synthesis of more complex molecules. Safety precautions should be observed when handling this compound due to the potential hazards associated with carbonyl chlorides, including corrosiveness and toxicity. As with many organic compounds, proper storage and handling in a controlled environment are essential to ensure safety and stability.

Formula: C₁₀H₁₁ClOS

InChI: InChI=1S/C10H11ClOS/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h5-6H,2-4H2,1H3

InChI key: InChIKey=RAQMTDUDQJTUHH-UHFFFAOYSA-N

SMILES: C(Cl)(=O)C=1SC2=C(C1)CC(C)CC2

Synonyms:

• Benzo[b]thiophene-2-carbonyl chloride, 4,5,6,7-tetrahydro-5-methyl-
• 4,5,6,7-Tetrahydro-5-methylbenzo[b]thiophene-2-carbonyl chloride