CAS 85896-13-5

1,4-Dimethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene

Description:

1,4-Dimethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene, with the CAS number 85896-13-5, is an organic compound characterized by its complex aromatic structure. It features a nitro group (-NO2) and two methoxy groups (-OCH3) attached to a benzene ring, which contribute to its chemical reactivity and potential applications in organic synthesis. The presence of a thioether linkage, specifically a 4-methylphenylthio group, enhances its properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. This compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents. Its nitro group can participate in electrophilic aromatic substitution reactions, while the methoxy groups can influence the electron density of the aromatic system. The compound's unique structure may also impart specific biological activities, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken during use.

Formula: C₁₅H₁₅NO₄S

InChI: InChI=1S/C15H15NO4S/c1-10-4-6-11(7-5-10)21-15-9-13(19-2)12(16(17)18)8-14(15)20-3/h4-9H,1-3H3

InChI key: InChIKey=PDJISJMRQRYBGA-UHFFFAOYSA-N

SMILES: S(C1=C(OC)C=C(N(=O)=O)C(OC)=C1)C2=CC=C(C)C=C2

Synonyms:

• 1,4-Dimethoxy-2-nitro-5-p-tolylsulfanyl-benzene
• 1,4-Dimethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene
• 1,4-Dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
• Sulfide, 2,5-dimethoxy-4-nitrophenyl p-tolyl
• Benzene, 1,4-dimethoxy-2-[(4-methylphenyl)thio]-5-nitro-