Description

(S)-5-fluoro-3-methylisobenzofuran-1(3H)-one (CAS: 1803573-19-4) is a high-purity chiral compound with the molecular formula C₉H₇FO₂. This specialty chemical is designed for advanced research applications, particularly in pharmaceutical development and organic synthesis. Its unique structural features, including a fluoro-substituted aromatic ring and a chiral methyl group, make it a valuable intermediate for the synthesis of biologically active molecules. The product is rigorously tested to ensure >98% purity (HPLC) and is supplied in sealed, light-resistant packaging to maintain stability. Researchers can rely on its consistent quality for precise experimental results in medicinal chemistry, asymmetric synthesis, and material science applications.

Properties

• CAS Number: 1803573-19-4
• Complexity: 205
• IUPAC Name: (3S)-5-fluoro-3-methyl-3H-isobenzofuran-1-one
• InChI: InChI=1S/C9H7FO2/c1-5-8-4-6(10)2-3-7(8)9(11)12-5/h2-5H,1H3/t5-/m0/s1
• InChI Key: GZPUPDFZOLCBAD-YFKPBYRVSA-N
• Exact Mass: 166.04300762
• Molecular Formula: C9H7FO2
• Molecular Weight: 166.15
• SMILES: C[C@H]1C2=C(C=CC(=C2)F)C(=O)O1
• Topological: 26.3
• Monoisotopic Mass: 166.04300762
• Synonyms: (S)-5-fluoro-3-methylisobenzofuran-1(3H)-one, 943-180-4, 1803573-19-4, (3S)-5-fluoro-3-methyl-3H-2-benzofuran-1-one, SCHEMBL24223347, DTXSID601021067, MFCD32660832, WS-01050, DS-019348, C92544, 1(3H)a-aIsobenzofuranone, 5-afluoro-a3-amethyl-a, (3S)a-

This compound serves as a key chiral building block in the synthesis of pharmaceutical intermediates, particularly for fluorine-containing active pharmaceutical ingredients (APIs). Its application extends to asymmetric catalysis studies where the stereocenter influences reaction outcomes. The fluoro-aromatic moiety makes it valuable for PET tracer development in imaging applications. Researchers also utilize it in structure-activity relationship (SAR) studies of bioactive compounds.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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