Description

1-Acetyl-4-bromo-5-heptafluoropropyl-3-methylpyrazole (CAS No. 232278-00-1) is a high-purity fluorinated pyrazole derivative with the molecular formula C₉H₆BrF₇N₂O. This specialized organofluorine compound features a unique heptafluoropropyl group coupled with an acetylated pyrazole core, making it an invaluable intermediate for advanced synthetic applications. Its well-defined structure, confirmed by IUPAC nomenclature as 1-[4-bromo-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methylpyrazol-1-yl]ethanone, ensures precise reactivity in nucleophilic substitutions and cross-coupling reactions. Ideal for pharmaceutical research, agrochemical development, and materials science, this compound is supplied with comprehensive analytical documentation including ¹H/¹⁹F NMR and HPLC purity data. Store under inert conditions at -20°C to maintain stability of its sensitive fluorinated moieties.

Properties

• CAS Number: 232278-00-1
• Complexity: 400
• IUPAC Name: 1-[4-bromo-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-pyrazol-1-yl]ethanone
• InChI: InChI=1S/C9H6BrF7N2O/c1-3-5(10)6(19(18-3)4(2)20)7(11,12)8(13,14)9(15,16)17/h1-2H3
• InChI Key: DMGMSKPXQRRFKD-UHFFFAOYSA-N
• Exact Mass: 369.95517
• Molecular Formula: C9H6BrF7N2O
• Molecular Weight: 371.05
• SMILES: CC1=NN(C(=C1Br)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C
• Topological: 34.9
• Monoisotopic Mass: 369.95517
• Synonyms: 232278-00-1, 1-Acetyl-4-bromo-5(3)-heptafluoropropyl-3(5)-methylpyrazole, 1-Acetyl-4-bromo-5-heptafluoropropyl-3-methylpyrazole, 1-[4-bromo-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methylpyrazol-1-yl]ethanone, 1-(4-Bromo-3-methyl-5-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one, 1350637-07-8, AKOS007930725

Application

This fluorinated pyrazole derivative serves as a key building block in the synthesis of bioactive molecules, particularly in the development of protease inhibitors and kinase-targeting pharmaceuticals. Its electron-withdrawing heptafluoropropyl group enhances metabolic stability in drug candidates, while the bromo substituent enables versatile Pd-catalyzed cross-coupling reactions. Researchers also utilize this compound to create advanced fluorinated materials with unique surface properties. In agrochemical research, it functions as a precursor for novel pesticides with improved environmental persistence.

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