CAS 1160248-92-9

6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carbonyl chloride

Description:

6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carbonyl chloride is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene core substituted with a carbonyl chloride group and a tert-butyl group at the 6-position. This compound is likely to exhibit properties typical of carbonyl chlorides, such as reactivity towards nucleophiles due to the electrophilic nature of the carbonyl carbon. The presence of the benzo[b]thiophene moiety suggests potential applications in organic synthesis and materials science, particularly in the development of pharmaceuticals or agrochemicals. The tert-butyl group may enhance the compound's lipophilicity, influencing its solubility and biological activity. Additionally, the compound's reactivity can be harnessed in various chemical transformations, making it a valuable intermediate in synthetic chemistry. Safety precautions should be observed when handling this compound, as carbonyl chlorides can be corrosive and may release harmful gases upon reaction with water or alcohols. Overall, this compound represents a versatile building block in organic synthesis with potential applications in various fields.

Formula: C₁₃H₁₃ClOS

InChI: InChI=1S/C13H13ClOS/c1-13(2,3)8-4-5-9-10(12(14)15)7-16-11(9)6-8/h4-7H,1-3H3

InChI key: InChIKey=CWUZGYPRFHTQQJ-UHFFFAOYSA-N

SMILES: C(Cl)(=O)C=1C=2C(=CC(C(C)(C)C)=CC2)SC1

Synonyms:

• Benzo[b]thiophene-3-carbonyl chloride, 6-(1,1-dimethylethyl)-
• 6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carbonyl chloride