Description

4-Bromo-6-tert-butyl-5-methoxy-2-methyl-1-indanone (CAS No. 952516-23-3) is a high-purity brominated indanone derivative with the molecular formula C₁₅H₁₉BrO₂. This compound features a unique sterically hindered tert-butyl group and a methoxy substitution, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its IUPAC name is 4-bromo-6-tert-butyl-5-methoxy-2-methyl-2,3-dihydroinden-1-one, and it is characterized by a crystalline solid form with excellent stability under standard laboratory conditions. Ideal for researchers exploring novel heterocyclic frameworks, this indanone derivative is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to ensure reproducibility and quality control. Store in a cool, dry place away from light to maintain optimal integrity.

Properties

• CAS Number: 952516-23-3
• Complexity: 334
• IUPAC Name: 4-bromo-6-tert-butyl-5-methoxy-2-methyl-indan-1-one
• InChI: InChI=1S/C15H19BrO2/c1-8-6-9-10(13(8)17)7-11(15(2,3)4)14(18-5)12(9)16/h7-8H,6H2,1-5H3
• InChI Key: SWLJNSSJTJLLJS-UHFFFAOYSA-N
• Exact Mass: 310.05684
• Molecular Formula: C15H19BrO2
• Molecular Weight: 311.21
• SMILES: CC1CC2=C(C(=C(C=C2C1=O)C(C)(C)C)OC)Br
• Topological: 26.3
• Monoisotopic Mass: 310.05684
• Synonyms: 952516-23-3, 4-bromo-6-tert-butyl-5-methoxy-2-methyl-1-indanone, SCHEMBL3753602, SWLJNSSJTJLLJS-UHFFFAOYSA-N, 4-bromo-6-tertbutyl-5-methoxy-2-methylindanone, 4-bromo-6-tert-butyl-5-methoxy-2-methylindan-1-one, 4-Bromo-6-(tert-butyl)-5-methoxy-2-methyl-2,3-dihydro-1H-inden-1-one

Application

This brominated indanone derivative serves as a key synthetic intermediate in the development of pharmacologically active molecules, particularly in the synthesis of anti-inflammatory and CNS-targeting compounds. Its sterically hindered structure enables selective functionalization for advanced medicinal chemistry applications. Researchers also utilize it in ligand design for catalytic systems and as a precursor for fluorescent probes in bioimaging studies.

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