Description

bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (CAS No. 131180-45-5) is a high-purity chiral compound with the molecular formula C₁₇H₁₇F₂NO. This fluorinated pyrrolidine derivative is designed for advanced research applications, particularly in medicinal chemistry and pharmaceutical development. The compound features a stereogenic center at the 2-position of the pyrrolidine ring, making it a valuable building block for enantioselective synthesis. With two 4-fluorophenyl groups attached to a central methanol-substituted pyrrolidine core, this product offers unique electronic and steric properties for ligand design and structure-activity relationship studies. Available in various quantities with ≥95% purity (HPLC), it is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry results. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability.

Properties

• CAS Number: 131180-45-5
• Complexity: 314
• IUPAC Name: bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
• InChI: InChI=1S/C17H17F2NO/c18-14-7-3-12(4-8-14)17(21,16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16,20-21H,1-2,11H2/t16-/m0/s1
• InChI Key: MFOIELLUBQRIOJ-INIZCTEOSA-N
• Exact Mass: 289.12782049
• Molecular Formula: C17H17F2NO
• Molecular Weight: 289.32
• SMILES: C1C[C@H](NC1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
• Topological: 32.3
• Monoisotopic Mass: 289.12782049
• Synonyms: 131180-45-5, bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol, MLS000545488, (S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL, (S)-Bis(4-fluorophenyl)(pyrrolidin-2-yl)methanol, SMR000161465, bis(4-fluorophenyl)(2-pyrrolidinyl)methanol, 2-Pyrrolidinemethanol, alpha,alpha-bis(4-fluorophenyl)-, (2S)-, HMS2164H21, bis(4-fluorophenyl)[(2S)-pyrrolidin-2-yl]methanol, SCHEMBL9229833, CHEMBL1886702, BDBM55463, cid_6544419, AKOS015912301, FB95598, bis(4-fluorophenyl)-[(2S)-2-pyrrolidinyl]methanol, 2-Pyrrolidinemethanol,a,a-bis(4-fluorophenyl)-,(2S)-, (2S)-alpha,alpha-Bis(4-Fluorophenyl)-2-Pyrrolidinemethanol

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly those targeting central nervous system receptors. Researchers utilize its chiral pyrrolidine scaffold for developing novel dopamine receptor ligands and other neuroactive compounds. The fluorinated aromatic rings enhance metabolic stability while maintaining desirable pharmacokinetic properties, making it valuable for drug discovery programs. Its structural features also make it suitable for catalytic applications in asymmetric synthesis.

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