Description

[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol (CAS No. 1408057-44-2) is a high-purity chiral compound with the molecular formula C₆H₁₁F₂NO. This fluorinated pyrrolidine derivative is characterized by its stereospecific (2S) configuration and hydroxymethyl functional group, making it a valuable building block in pharmaceutical and agrochemical synthesis. The presence of geminal difluoro substituents at the 4-position enhances its metabolic stability and lipophilicity, properties highly sought after in drug discovery. Supplied as a neat liquid or solution, this compound undergoes rigorous QC testing including HPLC, GC, and NMR to ensure >98% chemical and enantiomeric purity. Ideal for use in medicinal chemistry, asymmetric synthesis, and as a precursor for bioactive molecules targeting CNS disorders and enzyme inhibition.

Properties

• CAS Number: 1408057-44-2
• Complexity: 129
• IUPAC Name: [(2S)-4,4-difluoro-1-methyl-pyrrolidin-2-yl]methanol
• InChI: InChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3/t5-/m0/s1
• InChI Key: XTBIVKQOFIPRQX-YFKPBYRVSA-N
• Exact Mass: 151.08087030
• Molecular Formula: C6H11F2NO
• Molecular Weight: 151.15
• SMILES: CN1CC(C[C@H]1CO)(F)F
• Topological: 23.5
• Monoisotopic Mass: 151.08087030
• Synonyms: 1408057-44-2, [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol, (S)-(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol, (S)-2-(Hydroxymethyl)-1-methyl-4,4-difluoropyrrolidine, 2-Pyrrolidinemethanol, 4,4-difluoro-1-methyl-, (2S)-, MFCD23106096, SCHEMBL12439722, AKOS025290367, PB38929, AS-51815, CS-0053060, P13608, EN300-7399771

Application

This chiral fluorinated pyrrolidine serves as a key intermediate in the synthesis of pharmacologically active compounds, particularly those targeting neurological pathways. Its structural features enable incorporation into molecules designed for enhanced blood-brain barrier penetration. Researchers utilize it in the development of enzyme inhibitors due to the stereoelectronic effects imparted by the difluoro motif. The scaffold is also employed in ligand design for asymmetric catalysis and as a conformational constraint in peptide mimetics.

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