CAS 1279219-52-1

5-(3,4-Dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride

Description:

5-(3,4-Dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride is a chemical compound characterized by its unique structural features, which include a thiophene ring and an isoxazole moiety. This compound is typically used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to act as a sulfonylating agent. The presence of the sulfonyl chloride functional group makes it reactive, allowing it to participate in nucleophilic substitution reactions. The dimethyl substitution on the isoxazole ring can influence the compound's solubility and reactivity, while the thiophene ring contributes to its electronic properties. This compound is likely to be a solid at room temperature and may require careful handling due to the reactivity of the sulfonyl chloride group, which can release hydrochloric acid upon reaction. As with many sulfonyl chlorides, it is important to store it in a cool, dry place, away from moisture and incompatible substances. Safety precautions should be taken when working with this compound due to its potential irritant properties.

Formula: C₉H₈ClNO₃S₂

InChI: InChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3

InChI key: InChIKey=ZKYVRFMQSGQKMT-UHFFFAOYSA-N

SMILES: CC1=C(ON=C1C)C=2SC(S(Cl)(=O)=O)=CC2

Synonyms:

• 5-(3,4-Dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
• 2-Thiophenesulfonyl chloride, 5-(3,4-dimethyl-5-isoxazolyl)-