Description

1,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene (CAS No. 99770-93-1) is a high-purity aromatic diboronic ester compound with the molecular formula C₁₈H₂₈B₂O₄. This crystalline solid features two pinacol-protected boronate ester groups symmetrically positioned on a benzene ring, offering exceptional stability and reactivity for advanced synthetic applications. As a versatile boron-based building block, it is widely employed in Suzuki-Miyaura cross-coupling reactions, polymer synthesis, and materials science research. The compound’s IUPAC name is 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane. Our product is rigorously characterized by ¹H NMR, ¹³C NMR, and mass spectrometry to ensure ≥98% purity, packaged under inert atmosphere to prevent degradation. Suitable for use in organic electronics, pharmaceutical intermediates, and metal-organic framework (MOF) construction.

Properties

• CAS Number: 99770-93-1
• Complexity: 405
• IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
• InChI: InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
• InChI Key: UOJCDDLTVQJPGH-UHFFFAOYSA-N
• Exact Mass: 330.2173697
• Molecular Formula: C18H28B2O4
• Molecular Weight: 330.0
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)B3OC(C(O3)(C)C)(C)C
• Topological: 36.9
• Monoisotopic Mass: 330.2173697
• Synonyms: 99770-93-1, 1,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 1,4-Benzenediboronic acid bis(pinacol) ester, 1,4-PHENYLENEDIBORONIC ACID, PINACOL ESTER, 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane, 14-Benzenediboronic Acid Bis(pinacol) Ester, MFCD08276852, 1,4-Phenyldiboronic acid pinacol ester, 2,2′-(1,4-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), 1,4-Phenylenediboronic acid pinacol ester, 1,4-Benzenediboronic acid dipinacol ester, 1,3,2-Dioxaborolane, 2,2′-(1,4-phenylene)bis[4,4,5,5-tetramethyl-, SCHEMBL228212, DTXSID30442257, AKOS015960165, AS-2397, CS-W001007, SY025289, Benzene-1,4-diboronic acid pinacol diester, B4633, CS-0067161, 10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N, 1 4-BENZENEDIBORONIC ACID DIPINACOL EST%, 10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N.1, doi:10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N, 1,4-Benzenediboronic acid bis(pinacol) ester, 97%, doi:10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N.1, 1,4-Phenylenebis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), 1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzene, 4,4,5,5-Tetramethyl-2-[4-(tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-1,3,2-dioxaborolane

Application

This diboronate ester serves as a crucial precursor in palladium-catalyzed cross-coupling reactions for constructing biaryl structures in pharmaceutical intermediates. The compound enables efficient synthesis of π-conjugated polymers for organic light-emitting diodes (OLEDs) and photovoltaic materials. Researchers utilize its symmetrical diboronate functionality for constructing porous framework materials and molecular sensors. The pinacol protection enhances stability while maintaining reactivity in demanding synthetic conditions.

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