Description

4-Bromo-5-methyl-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole (CAS No. 231630-82-3) is a highly fluorinated pyrazole derivative with the molecular formula C₉H₄BrF₁₁N₂O. This specialized organofluorine compound features a unique perfluoroalkoxyethyl substitution pattern, making it a valuable intermediate for advanced synthetic applications. The presence of both bromine and multiple fluorine substituents enhances its reactivity in cross-coupling reactions and its potential as a building block for materials with unique physicochemical properties. This compound is supplied as a high-purity solid suitable for research and development purposes. Proper handling under inert atmosphere is recommended due to its sensitive functional groups. Storage at 2-8°C in a tightly sealed container is advised to maintain stability.

Properties

• CAS Number: 231630-82-3
• Complexity: 467
• IUPAC Name: 4-bromo-5-methyl-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole
• InChI: InChI=1S/C9H4BrF11N2O/c1-2-3(10)4(23-22-2)5(11,7(14,15)16)24-9(20,21)6(12,13)8(17,18)19/h1H3,(H,22,23)
• InChI Key: MKQRPWIAPQURGC-UHFFFAOYSA-N
• Exact Mass: 443.93314
• Molecular Formula: C9H4BrF11N2O
• Molecular Weight: 445.03
• SMILES: CC1=C(C(=NN1)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)Br
• Topological: 37.9
• Monoisotopic Mass: 443.93314
• Synonyms: 231630-82-3, 4-bromo-5-methyl-3-[1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1H-pyrazole, 4-Bromo-5(3)-methyl-3(5)-perfluoro(1-propoxyethyl)pyrazole, 4-Bromo-3-[tetrafluoro-1-(heptafluoropropoxy)ethyl]-5-methylpyrazole, MFCD01075255, AKOS025212601, 4-BROMO-3-[TETRAFLUORO-1-(HEPTAFLUORO-1-PROPOXY)ETHYL]-5-(METHYL)PYRAZOLE

Application

This fluorinated pyrazole derivative serves as a key intermediate in the synthesis of advanced agrochemicals and pharmaceuticals, particularly those requiring enhanced metabolic stability and lipophilicity. Its unique structure makes it valuable for developing novel materials with specialized surface properties. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to create complex heterocyclic systems. The presence of multiple fluorine atoms enables its use in the design of fluorine-containing bioactive molecules.

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