Description

1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone (CAS No. 500868-98-4) is a high-purity fluorinated ketone compound with the molecular formula C₉H₁₂F₆O₂. This specialty chemical is characterized by its unique trifluoromethyl and hydroxyl functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one, and it is also known by synonyms such as NSC160254 and G75487. The compound is supplied as a clear, colorless to pale yellow liquid with stringent quality control to ensure consistency for research applications. Ideal for use in fluorination reactions, catalysis studies, and as a building block for complex molecular architectures.

Properties

• CAS Number: 500868-98-4
• Complexity: 264
• IUPAC Name: 1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one
• InChI: InChI=1S/C9H12F6O2/c1-5(2)3-6(16)4-7(17,8(10,11)12)9(13,14)15/h5,17H,3-4H2,1-2H3
• InChI Key: ZSXNDQFSLIBMEV-UHFFFAOYSA-N
• Exact Mass: 266.07414859
• Molecular Formula: C9H12F6O2
• Molecular Weight: 266.18
• SMILES: CC(C)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O
• Topological: 37.3
• Monoisotopic Mass: 266.07414859
• Synonyms: 1,1,1-TRIFLUORO-2-HYDROXY-6-METHYL-2-(TRIFLUOROMETHYL)-4-HEPTANONE, 500868-98-4, NSC160254, NSC-160254, G75487

Application

1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone is primarily used as a fluorinated synthon in pharmaceutical and agrochemical research. Its reactive ketone and hydroxyl groups enable its use in the synthesis of bioactive molecules and fluorinated analogs. The compound is also employed in catalysis studies due to its electron-withdrawing trifluoromethyl groups. Researchers utilize it to explore novel reaction pathways in organic chemistry, particularly in the development of fluorine-containing compounds.

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