CAS 1186663-65-9

3-Methyl-4-(methylsulfonyl)benzoic acid

Description:

3-Methyl-4-(methylsulfonyl)benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a methyl group and a methylsulfonyl group. The presence of the methylsulfonyl group enhances its solubility in polar solvents and may influence its reactivity and biological activity. This compound typically exhibits acidic properties due to the carboxylic acid functional group, allowing it to donate protons in solution. Its molecular structure suggests potential applications in pharmaceuticals, particularly in drug design, where modifications to aromatic compounds can lead to enhanced efficacy or reduced side effects. Additionally, the compound may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. The CAS number 1186663-65-9 uniquely identifies this substance, facilitating its recognition in chemical databases and literature. Overall, 3-Methyl-4-(methylsulfonyl)benzoic acid is a versatile compound with potential applications in various fields, including organic synthesis and medicinal chemistry.

Formula: C₉H₁₀O₄S

InChI: InChI=1S/C9H10O4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11)

InChI key: InChIKey=JVBNILACPMFONW-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-methyl-4-(methylsulfonyl)-
• 3-Methyl-4-(methylsulfonyl)benzoic acid
• 3-Methyl-4-methylsulfonylbenzoic acid

3-Methyl-4-(methylsulfonyl)benzoic acid

CAS: 1186663-65-9

Formula: C₉H₁₀O₄S

Purity: 97%

Color and Shape: Solid

Molecular weight: 214.2383

Ref: IN-DA003JPR

3-Methyl-4-(methylsulfonyl)benzoic acid

CAS: 1186663-65-9

Formula: C₉H₁₀O₄S

Purity: >97%

Molecular weight: 214.24

Ref: 10-F446578

3-Methyl-4-(methylsulfonyl)benzoic acid

CAS: 1186663-65-9

3-Methyl-4-(methylsulfonyl)benzoic acid is a chemical compound that is used in the preparation of pharmaceuticals. It is an oxidant that can be used as a hydrogen peroxide transfer catalyst. Preparation of 3-methyl-4-(methylsulfonyl)benzoic acid can be achieved through a three step process. The first step involves the addition of methylsulfonyl chloride to benzene, which leads to the formation of sulfonic acid chloride. The second step involves the addition of sodium nitrite in water, which leads to the formation of 3-methyl-4-(methylsulfonyl)nitrobenzene. Finally, the third step involves adding concentrated sulfuric acid and potassium hydroxide in ethanol, which leads to the formation of 3-methyl-4-(methylsulfonyl) benzoic acid crystals.

Formula: C₉H₁₀O₄S

Purity: Min. 95%

Molecular weight: 214.24 g/mol

Ref: 3D-LXB66365