Sodium 2-((2-Ethyl-6-methylphenyl)amino)-2-oxoethanesulfonate

• CAT Number: C000893
• CAS Number: 1173021-76-5
• Molecular Formula: C₁₁H₁₄NNaO₄S
• Molecular Weight: 279.29
• Purity: ≥95%
• Synonyms: 2-[(2-Ethyl-6-methylphenyl)amino]-2-oxo-ethanesulfonic Acid Sodium Salt
• Solubility: Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
• Appearance: White to Off-White Solid
• Storage: -20°C, Hygroscopic
• IUPAC Name: sodium;2-(2-ethyl-6-methylanilino)-2-oxoethanesulfonate
• InChI: InChI=1S/C11H15NO4S.Na/c1-3-9-6-4-5-8(2)11(9)12-10(13)7-17(14,15)16;/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,15,16);/q;+1/p-1
• InChIKey: WWFKJLARXKHBKN-UHFFFAOYSA-M
• SMILES: CCC1=CC=CC(=C1NC(=O)CS(=O)(=O)[O-])C.[Na+]

Sodium 2-((2-Ethyl-6-methylphenyl)amino)-2-oxoethanesulfonate (Cat No.:C000893) is a chemical compound used in various industries and applications. It is a sulfonate derivative with a phenylamino group and a ketone moiety attached to an ethane backbone. This compound is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique structure and functional groups make it valuable for creating complex molecules in medicinal chemistry and crop protection.

Reference

Thurman, E., et al.: J. Chromatogr. A, 957, 3 (2002); Thurman, E., et al.: ACS Symp. Ser., 850, 128 (2003); Hamer, K., Freudenberger, U.: Wasser und Abfall, 13, 42 (2011); Reemtsma, T., et al.: J. Chromatogr. A, 1271, 95 (2013);