Description

1,3-Dioxolane, 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]- (CAS No. 658680-40-1) is a high-purity brominated dioxolane derivative designed for advanced synthetic applications in organic chemistry and pharmaceutical research. With the molecular formula C₁₁H₁₀BrF₃O₂, this compound features a reactive bromomethyl group and a trifluoromethylphenyl moiety, making it a versatile building block for nucleophilic substitutions, cross-coupling reactions, and fluorinated scaffold construction. Its IUPAC name, 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane, reflects its precise structural configuration. This product is rigorously characterized by NMR, HPLC, and mass spectrometry to ensure ≥95% purity, meeting the stringent requirements of medicinal chemistry and material science research. Available in amber vials under inert gas to preserve stability, it is ideal for synthesizing fluorinated intermediates, agrochemicals, or bioactive molecules.

Properties

• CAS Number: 658680-40-1
• Complexity: 256
• IUPAC Name: 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
• InChI: InChI=1S/C11H10BrF3O2/c12-7-10(16-5-6-17-10)8-1-3-9(4-2-8)11(13,14)15/h1-4H,5-7H2
• InChI Key: YTAOYLRAMYEGAE-UHFFFAOYSA-N
• Exact Mass: 309.98163
• Molecular Formula: C11H10BrF3O2
• Molecular Weight: 311.09
• SMILES: C1COC(O1)(CBr)C2=CC=C(C=C2)C(F)(F)F
• Topological: 18.5
• Monoisotopic Mass: 309.98163
• Synonyms: 658680-40-1, 1,3-Dioxolane, 2-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-, SCHEMBL14392842, DTXSID70438699, YTAOYLRAMYEGAE-UHFFFAOYSA-N

Application

This compound serves as a key intermediate in the synthesis of trifluoromethyl-substituted aromatic systems, commonly used in pharmaceutical and agrochemical development. Its reactive bromomethyl group enables facile functionalization for constructing complex heterocycles or polymer precursors. Researchers utilize it in Pd-catalyzed cross-coupling reactions to introduce fluorinated phenyl motifs into drug candidates. The dioxolane protecting group offers selective deprotection strategies for carbonyl chemistry applications.

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