Description

Bis(hexylene glycolato)diboron (CAS No. 230299-21-5) is a highly specialized organoboron compound with the molecular formula C₁₂H₂₄B₂O₄. This reagent is widely recognized for its role as a versatile boronating agent in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its IUPAC name, 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane, reflects its unique cyclic boronate ester structure, which enhances stability and reactivity under controlled conditions. The compound is supplied as a high-purity crystalline solid, ensuring optimal performance in research and industrial applications. Suitable for use in anhydrous environments, it is packaged under inert gas to maintain integrity. Store in a cool, dry place away from moisture and oxidizing agents.

Properties

• CAS Number: 230299-21-5
• Complexity: 278
• IUPAC Name: 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
• InChI: InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
• InChI Key: UEBSWKNVDRJVHN-UHFFFAOYSA-N
• Exact Mass: 254.1860696
• Molecular Formula: C12H24B2O4
• Molecular Weight: 253.9
• SMILES: B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
• Topological: 36.9
• Monoisotopic Mass: 254.1860696
• Synonyms: Bis(hexylene glycolato)diboron, 230299-21-5, DTXSID00370396, DTXCID70321431, 673-658-5, 4,4,4′,4′,6,6′-Hexamethyl-2,2′-bi(1,3,2-dioxaborinane), bis(hexyleneglycolato)diboron, 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane, 2,2′-Bi-1,3,2-dioxaborinane, 4,4,4′,4′,6,6′-hexamethyl-, MFCD06246008, Bis(hexyleneglycolato) diboron, 4,4,4′,4′,6,6′-Hexamethyl-2,2′-bi-1,3,2-dioxaborinane, SCHEMBL4135210, AC1859, Bis(hexylene glycolato)diboron, 96%, AKOS015908249, AC-4653, CS-W009463, Bis(2-methyl-2,4-pentanediolato)diboron, AS-12464, SY010019, DB-016042, B2906

Application

Bis(hexylene glycolato)diboron is a critical reagent in transition-metal-catalyzed borylation reactions, enabling the synthesis of complex aryl and heteroaryl boronates. It is particularly useful in pharmaceutical research for constructing bioactive molecules and in materials science for developing boron-containing polymers. The compound’s stability and selectivity make it ideal for controlled functionalization of organic substrates.

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]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (75%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.