Description

Spiro[12H-benzo[a]xanthene-12,1′(3’H)-isobenzofuran]-3′-one, 9-[ethyl(3-methylbutyl)amino]- (CAS No. 115392-27-3) is a high-purity organic compound with the molecular formula C₃₁H₂₉NO₃. This spirocyclic derivative features a unique benzo[a]xanthene core fused with an isobenzofuranone moiety, functionalized with an ethyl(3-methylbutyl)amino substituent. The compound’s rigid spiro architecture and extended π-conjugation system make it of particular interest for advanced materials research and photophysical studies. With a molecular weight of 463.57 g/mol, this product is supplied as a stable solid suitable for laboratory use. Researchers may employ this compound in the development of fluorescent probes, organic semiconductors, or as a building block for complex heterocyclic systems. Each batch is rigorously analyzed by HPLC and NMR to ensure ≥95% purity, meeting the exacting standards of synthetic and materials chemistry applications.

Properties

• CAS Number: 115392-27-3
• Complexity: 768
• IUPAC Name: 9-[ethyl(isopentyl)amino]spiro[benzo[a]xanthene-12,3′-isobenzofuran]-1′-one
• InChI: InChI=1S/C31H29NO3/c1-4-32(18-17-20(2)3)22-14-15-26-28(19-22)34-27-16-13-21-9-5-6-10-23(21)29(27)31(26)25-12-8-7-11-24(25)30(33)35-31/h5-16,19-20H,4,17-18H2,1-3H3
• InChI Key: GNBILJBACCNEAZ-UHFFFAOYSA-N
• Exact Mass: 463.21474379
• Molecular Formula: C31H29NO3
• Molecular Weight: 463.6
• SMILES: CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65
• Topological: 38.8
• Monoisotopic Mass: 463.21474379
• Synonyms: 115392-27-3, Spiro[12H-benzo[a]xanthene-12,1′(3’H)-isobenzofuran]-3′-one, 9-[ethyl(3-methylbutyl)amino]-, DTXSID90888879, 9-(Ethyl(3-methylbutyl)amino)spiro(12H-benzo(a)xanthene-12,1′(3’H)isobenzofuran)-3′-one, Spiro(12H-benzo(a)xanthene-12,1′(3’H)-isobenzofuran)-3′-one, 9-(ethyl(3-methylbutyl)amino)-, Spiro(12H-benzo(a)xanthene-12,11(3’H)-isobenzofuran)-3′-one, 9-(ethyl(3-methylbutyl)amino)-, DTXCID401028150, 601-358-6, RED 500, 9-(Ethyl(isopentyl)amino)-3’H-spiro[benzo[a]xanthene-12,1′-isobenzofuran]-3′-one, 9′-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12′-benzo[a]xanthene]-1-one, GNBILJBACCNEAZ-UHFFFAOYSA-N, SCHEMBL3015765, MFCD32643162, G65584

Application

This spirocyclic compound serves as a versatile intermediate in the synthesis of advanced organic materials with potential applications in optoelectronics and fluorescence-based sensing. Researchers may utilize its unique structure to develop novel dyes for biological imaging or as a charge transport material in organic electronic devices. The ethyl(3-methylbutyl)amino substituent enhances solubility in organic solvents, facilitating its incorporation into polymer matrices or solution-processed thin films.

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