Description

4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane (CAS No. 890042-13-4) is a high-purity boronic ester derivative with the molecular formula C₂₄H₂₃BO₂. This organoboron compound features a triphenylene core functionalized with a dioxaborolane group, making it a valuable intermediate in organic synthesis and materials science. Its rigid, planar aromatic structure and electron-rich properties make it suitable for applications in optoelectronic materials, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency and performance. Ideal for researchers in academia and industry, it is packaged under inert conditions to ensure stability and longevity.

Properties

• CAS Number: 890042-13-4
• Complexity: 543
• IUPAC Name: 4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
• InChI: InChI=1S/C24H23BO2/c1-23(2)24(3,4)27-25(26-23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3
• InChI Key: VXLBBSLCTFTKOE-UHFFFAOYSA-N
• Exact Mass: 354.1791101
• Molecular Formula: C24H23BO2
• Molecular Weight: 354.3
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53
• Topological: 18.5
• Monoisotopic Mass: 354.1791101
• Synonyms: 890042-13-4, 4,4,5,5-tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane, 832-393-7, 4,4,5,5-TetraMethyl-2-(3-triphenylen-2-yl-phenyl)-[1,3,2]dioxaborolane, 4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-triphenylenyl)-, 4,4,5,5-TetraMethyl-2-triphenylen-2-yl-[1,3,2]dioxaborolane, SCHEMBL311849, MFCD26401844, AKOS026671341, AS-55623, DA-01466, Triphenylen-2-ylboronic Acid Pinacol Ester, CS-0153833, T3322, F16774, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene, 4,4,5,5tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane

Application

This compound serves as a key precursor in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of extended π-conjugated systems for organic electronics. Its triphenylene moiety enhances charge transport properties, making it useful in the development of high-performance OLED emitters and hole-transport materials. Researchers also utilize it in the fabrication of liquid crystalline materials due to its planar aromatic structure.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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