Description

2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)- (CAS No. 164391-52-0) is a high-purity organic compound with the molecular formula C₂₄H₃₀O₂ and IUPAC name 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one. This specialized benzofuranone derivative features a unique sterically hindered structure due to the presence of tert-butyl and dimethylphenyl substituents, making it an ideal candidate for advanced research in organic synthesis, material science, and pharmaceutical development. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for demanding applications. Its well-defined molecular architecture offers potential as a building block for novel heterocyclic compounds, polymerization inhibitors, or ligand scaffolds in catalysis. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 164391-52-0
• Complexity: 523
• IUPAC Name: 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-benzofuran-2-one
• InChI: InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3
• InChI Key: CYHYIIFODCKQNP-UHFFFAOYSA-N
• Exact Mass: 350.224580195
• Molecular Formula: C24H30O2
• Molecular Weight: 350.5
• SMILES: CC1=C(C=C(C=C1)C2C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)OC2=O)C
• Topological: 26.3
• Monoisotopic Mass: 350.224580195
• Synonyms: 164391-52-0, 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)-, 66Z7T9UCWM, 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)-2(3H)-benzofuranone, DTXSID10889045, 5,7-BIS(1,1-DIMETHYLETHYL)-3-(3,4-DIMETHYLPHENYL)-2(3H)-BENZOFURANONE, DTXCID801028314, 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one, MFCD30729989, 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one, 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-one, UNII-66Z7T9UCWM, SCHEMBL39132, AKOS030631720, DS-20085, SY247201, CS-0160740, D5640, D84011, Q27264040, 3-(3,4-dimethylphenyl)-5,7-di-tertbutyl-3H-benzofuran-2-one, 3-(3,4-dimethylphenyl)-5,7-di-tert-butyl-3h-benzofuran-2-one, 5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3h benzofuran-2-one, 5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3H-benzofuran-2-one, 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-3h-benzo-furan-2-one, 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-3h-benzofuran-2-one

Application

This benzofuranone derivative serves as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical research where its sterically hindered structure may contribute to bioactive compound development. Researchers utilize it in material science applications to study antioxidant properties and polymerization inhibition mechanisms. The compound’s unique substitution pattern also makes it valuable for investigating structure-activity relationships in medicinal chemistry programs.

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