CAS 74651-62-0

5-(Chlorosulfonyl)-2,3-dimethoxybenzoic acid

Description:

5-(Chlorosulfonyl)-2,3-dimethoxybenzoic acid is an organic compound characterized by its sulfonyl chloride functional group and methoxy substituents on a benzoic acid framework. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. The presence of the chlorosulfonyl group makes it a reactive species, particularly in nucleophilic substitution reactions, which can be utilized in various synthetic applications. The methoxy groups contribute to the compound's electronic properties, influencing its reactivity and solubility. Additionally, the carboxylic acid group provides acidic characteristics, allowing for potential interactions in biological systems or as a precursor in further chemical transformations. Safety precautions are necessary when handling this compound due to its reactive nature and potential hazards associated with the chlorosulfonyl moiety. Overall, 5-(Chlorosulfonyl)-2,3-dimethoxybenzoic acid serves as a valuable intermediate in organic synthesis and pharmaceutical development.

Formula: C₉H₉ClO₆S

InChI: InChI=1S/C9H9ClO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)

InChI key: InChIKey=TWHADRKVBHEANG-UHFFFAOYSA-N

SMILES: O(C)C1=C(C(O)=O)C=C(S(Cl)(=O)=O)C=C1OC

Synonyms:

• Benzoic acid, 5-(chlorosulfonyl)-2,3-dimethoxy-
• 5-(Chlorosulfonyl)-2,3-dimethoxybenzoic acid