Description

2,2′-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]fluorene-2,8-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS No. 628303-20-8) is a high-purity, organoboron compound with the molecular formula C₆₄H₁₀₀B₂O₄. This advanced chemical features a unique indenofluorene core functionalized with tetraoctyl groups and paired with pinacol boronate esters, making it an excellent candidate for organic electronic applications. Its extended π-conjugation and electron-accepting properties are ideal for use in organic semiconductors, OLEDs, and photovoltaic materials. The compound is supplied as a stable solid with rigorous quality control to ensure consistency in research and industrial applications. Suitable for Suzuki-Miyaura cross-coupling reactions, this reagent is a valuable tool for synthetic chemists and materials scientists.

Properties

• CAS Number: 628303-20-8
• Complexity: 1360
• IUPAC Name: 4,4,5,5-tetramethyl-2-[6,6,12,12-tetraoctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]fluoren-8-yl]-1,3,2-dioxaborolane
• InChI: InChI=1S/C64H100B2O4/c1-13-17-21-25-29-33-41-63(42-34-30-26-22-18-14-2)55-45-49(65-67-59(5,6)60(7,8)68-65)37-39-51(55)53-48-58-54(47-57(53)63)52-40-38-50(66-69-61(9,10)62(11,12)70-66)46-56(52)64(58,43-35-31-27-23-19-15-3)44-36-32-28-24-20-16-4/h37-40,45-48H,13-36,41-44H2,1-12H3
• InChI Key: XEMBFERDCPKOOC-UHFFFAOYSA-N
• Exact Mass: 954.7807720
• Molecular Formula: C64H100B2O4
• Molecular Weight: 955.1
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC5=C(C=C4C3(CCCCCCCC)CCCCCCCC)C6=C(C5(CCCCCCCC)CCCCCCCC)C=C(C=C6)B7OC(C(O7)(C)C)(C)C
• Topological: 36.9
• Monoisotopic Mass: 954.7807720
• Synonyms: 628303-20-8, 2,2′-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]fluorene-2,8-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), 4,4,5,5-tetramethyl-2-[6,6,12,12-tetraoctyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-b]fluoren-8-yl]-1,3,2-dioxaborolane, 1,3,2-Dioxaborolane, 2,2′-(6,12-dihydro-6,6,12,12-tetraoctylindeno[1,2-b]fluorene-2,8-diyl)bis[4,4,5,5-tetramethyl-, 2,2′-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]fluorene-2,8-diyl)bis(4,4,5,5-tetramethyl-1,3,2-, SCHEMBL10049615, 2,8-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-6,6,12,12-tetraoctylindeno[1,2-b]fluorene, 1,3,2-Dioxaborolane,2,2′-(6,12-dihydro-6,6,12,12-tetraoctylindeno[1,2-b]fluorene-2,8-diyl)bis[4,4,5,5-tetramethyl-, 2,2′-(6,12-Dihydro-6,6,12,12-tetraoctylindeno[1,2-b]fluorene-2,8-diyl)bis[4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2,8-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,12-dihydro-6,6,12,12-tetraoctylindeno[1,2-b]fluorene

Application

This compound is widely used in the synthesis of conjugated polymers and small molecules for organic electronics, particularly in OLED and OPV device fabrication. Its boronate ester groups enable efficient cross-coupling reactions for constructing complex π-conjugated systems. Researchers utilize it to develop high-performance organic semiconductors with tailored optoelectronic properties. The tetraoctyl chains enhance solubility in common organic solvents, facilitating solution-processing techniques.

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