Description

2-Fluoro-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinane (CAS No. 39846-28-1) is a high-purity organophosphorus compound with the molecular formula C₅H₁₀FO₃P. This cyclic phosphonate ester is characterized by its unique 1,3,2-dioxaphosphorinane backbone, fluorinated at the 2-position, and featuring two methyl groups at the 5-position for enhanced steric stability. Ideal for advanced research applications, this compound is synthesized under stringent quality controls to ensure >95% purity (verified by GC-MS and NMR). It is supplied as a clear, colorless to pale-yellow liquid, stored under inert conditions to prevent hydrolysis. Suitable for use in organic synthesis, ligand development, and as a precursor for specialty chemicals. Available in 1g, 5g, and 25g sealed glass vials with optional certificates of analysis (CoA).

Properties

• CAS Number: 39846-28-1
• Complexity: 166
• IUPAC Name: 2-fluoro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
• InChI: InChI=1S/C5H10FO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3
• InChI Key: XJISJBVVETYAMI-UHFFFAOYSA-N
• Exact Mass: 168.03515934
• Molecular Formula: C5H10FO3P
• Molecular Weight: 168.10
• SMILES: CC1(COP(=O)(OC1)F)C
• Topological: 35.5
• Monoisotopic Mass: 168.03515934
• Synonyms: 2-Fluoro-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinane, SCHEMBL24931660, DTXSID901337043, 39846-28-1

Application

2-Fluoro-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinane serves as a versatile building block in phosphorus chemistry, particularly for synthesizing fluorinated phosphonates with potential biological activity. Researchers utilize it in catalysis studies due to its electron-withdrawing fluorine moiety, which modulates reactivity. It is also explored in material science for modifying polymer properties or designing flame retardants. Its stability makes it suitable for nuclear magnetic resonance (NMR) solvent development.

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