Description

1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)- (CAS No. 50292-91-6) is a high-purity organic compound with the molecular formula C₃₄H₃₆N₂O₂. This indole-derived phthalide derivative is characterized by its unique structural configuration, featuring two 1-butyl-2-methylindole moieties symmetrically attached to a central benzofuran-1-one core. The compound is supplied as a fine powder or crystalline solid with documented purity ≥95% (HPLC). Its extended π-conjugated system makes it of particular interest in materials science applications. Proper storage conditions (2-8°C, inert atmosphere) are recommended to maintain stability. This product is intended for research purposes only and is not for human or veterinary use. Available packaging options range from 100mg to 10g quantities with custom scales available upon request.

Properties

• CAS Number: 50292-91-6
• Complexity: 783
• IUPAC Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
• InChI: InChI=1S/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3
• InChI Key: JZEPXWWZAJGALH-UHFFFAOYSA-N
• Exact Mass: 504.277678395
• Molecular Formula: C34H36N2O2
• Molecular Weight: 504.7
• SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
• Topological: 36.2
• Monoisotopic Mass: 504.277678395
• Synonyms: 50292-91-6, 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-, EINECS 256-523-1, 3,3-Bis(1-butyl-2-methyl-1H-indol-3-yl)phthalide, DTXSID9068538, 3,3-bis(1-butyl-2-methylindol-3-yl)phthalide, DTXCID8040808, 256-523-1, 3,3-Bis(1-butyl-2-methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one, 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one, C34H36N2O2, MFCD23135512, SCHEMBL27560, AKOS016005280, AS-10464, DB-338989, NS00032035, F95276, 3 pound not3-bis(1-butyl-2-methyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone

Application

This specialized indole-phthalide hybrid compound finds application in organic electronic materials research due to its extended conjugated system. Researchers utilize it as a building block for developing novel photochromic materials and nonlinear optical compounds. The sterically hindered structure makes it valuable for studying molecular packing effects in solid-state luminescent materials. Additionally, it serves as a synthetic intermediate for more complex heterocyclic systems in medicinal chemistry programs.

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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