Description

1-(2,4-Dihydroxy-3-(trifluoromethyl)phenyl)-2-methylpropan-1-one (CAS No. 1204737-93-8) is a high-purity fluorinated aromatic ketone with the molecular formula C₁₁H₁₁F₃O₃. This compound features a trifluoromethyl group and two hydroxyl substituents on the phenyl ring, offering unique reactivity and stability for advanced synthetic applications. Its IUPAC name is 1-[2,4-dihydroxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one, and it is available in research quantities with rigorous QC validation (HPLC, NMR). Ideal for pharmaceutical intermediates, agrochemical research, and materials science due to its electron-withdrawing trifluoromethyl group and bifunctional phenolic reactivity. Packaged under inert gas to ensure stability.

Properties

• CAS Number: 1204737-93-8
• Complexity: 288
• IUPAC Name: 1-[2,4-dihydroxy-3-(trifluoromethyl)phenyl]-2-methyl-propan-1-one
• InChI: InChI=1S/C11H11F3O3/c1-5(2)9(16)6-3-4-7(15)8(10(6)17)11(12,13)14/h3-5,15,17H,1-2H3
• InChI Key: NYFNJYJWOHQAMU-UHFFFAOYSA-N
• Exact Mass: 248.06602869
• Molecular Formula: C11H11F3O3
• Molecular Weight: 248.20
• SMILES: CC(C)C(=O)C1=C(C(=C(C=C1)O)C(F)(F)F)O
• Topological: 57.5
• Monoisotopic Mass: 248.06602869
• Synonyms: 1-(2,4-DIHYDROXY-3-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPROPAN-1-ONE, 1204737-93-8, 1-[2,4-dihydroxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one, SCHEMBL1829709, DTXSID50696735, AKOS015999817, 1-(2,4-dihydroxy-3-trifluoromethyl-phenyl)-2-methyl-propan-1-one, 1-[2,4-Dihydroxy-3-(trifluoromethyl)phenyl]-2-methyl-1-propanone

Application

This compound serves as a versatile building block in medicinal chemistry for the synthesis of trifluoromethyl-containing bioactive molecules. Its dihydroxy-phenylketone structure enables chelation and functionalization for metal-catalyzed cross-coupling reactions. Applications include development of PET radiotracers (leveraging the CF₃ group) and UV-absorbing materials. The trifluoromethyl group enhances lipophilicity, making it valuable for pharmacokinetic optimization in drug discovery.

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