Description

3-Amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CAS No. 279228-81-8) is a high-purity synthetic organic compound with the molecular formula C₁₁H₁₂F₃N₃O₄. This specialized chemical features a unique trifluoromethylphenyl backbone coupled with an amino-hydroxy-methyl propanamide moiety, making it a valuable intermediate in pharmaceutical and agrochemical research. With a molecular weight of 307.23 g/mol, this compound is supplied as a crystalline solid with guaranteed ≥95% purity (HPLC). Its structural complexity and functional groups enable diverse reactivity, particularly in drug discovery and medicinal chemistry applications. Proper storage at 2-8°C in a tightly sealed container is recommended to ensure stability. Available in quantities from milligrams to kilograms, this product is ideal for researchers requiring precise and reliable building blocks for innovative synthetic pathways.

Properties

• CAS Number: 279228-81-8
• Complexity: 412
• IUPAC Name: 3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
• InChI: InChI=1S/C11H12F3N3O4/c1-10(19,5-15)9(18)16-6-2-3-8(17(20)21)7(4-6)11(12,13)14/h2-4,19H,5,15H2,1H3,(H,16,18)
• InChI Key: YCURCXVNSJYMCB-UHFFFAOYSA-N
• Exact Mass: 307.07799036
• Molecular Formula: C11H12F3N3O4
• Molecular Weight: 307.23
• SMILES: CC(CN)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
• Topological: 121
• Monoisotopic Mass: 307.07799036
• Synonyms: 3-amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, 3-Amino-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide, 279228-81-8, BP 34, 4-nitro-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-amino-propionyl)aniline, SCHEMBL2641121, DTXSID70434297, DB-294079, 4-nitro-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-aminopropionyl)aniline

Application

3-Amino-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of trifluoromethyl-containing pharmaceuticals. Its reactive amino and hydroxyl groups facilitate further derivatization for structure-activity relationship (SAR) studies. Researchers utilize this compound in medicinal chemistry projects targeting enzyme inhibition or receptor modulation due to its electron-withdrawing nitro and trifluoromethyl groups. It has also shown utility in agrochemical research for designing novel pesticides with enhanced metabolic stability.

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