CAS 1160248-94-1

6-(1,1-Dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonyl chloride

Description:

6-(1,1-Dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonyl chloride, identified by its CAS number 1160248-94-1, is a synthetic organic compound characterized by its complex structure, which includes a benzo[b]thiophene core fused with a tetrahydro moiety and a carbonyl chloride functional group. This compound features a branched alkyl substituent, specifically a 1,1-dimethylpropyl group, which contributes to its hydrophobic characteristics and may influence its reactivity and solubility in organic solvents. The presence of the carbonyl chloride group indicates potential reactivity, particularly in nucleophilic substitution reactions, making it a valuable intermediate in organic synthesis. Its unique structure may also impart specific biological activities, although detailed biological data may be limited. Overall, this compound exemplifies the diversity of synthetic organic chemistry and its applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₄H₁₉ClOS

InChI: InChI=1S/C14H19ClOS/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h8-9H,4-7H2,1-3H3

InChI key: InChIKey=AUCOGUFDHGLBFW-UHFFFAOYSA-N

SMILES: C(Cl)(=O)C=1C2=C(CC(C(CC)(C)C)CC2)SC1

Synonyms:

• Benzo[b]thiophene-3-carbonyl chloride, 6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-
• 6-(1,1-Dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonyl chloride