Description

Bis(neopentyl glycolato)diboron (CAS No. 201733-56-4) is a highly specialized organoboron compound with the molecular formula C₁₀H₂₀B₂O₄. This crystalline solid is widely utilized in organic synthesis and cross-coupling reactions due to its exceptional stability and reactivity. Its IUPAC name, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane, reflects its unique bicyclic structure, which enhances its performance as a boronating agent. Ideal for Suzuki-Miyaura couplings and other palladium-catalyzed transformations, this reagent offers researchers precise control over borylation reactions. Packaged under inert conditions to ensure purity and longevity, it is a must-have for synthetic chemists working in pharmaceuticals, materials science, and advanced catalysis.

Properties

• CAS Number: 201733-56-4
• Complexity: 211
• IUPAC Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
• InChI: InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
• InChI Key: MDNDJMCSXOXBFZ-UHFFFAOYSA-N
• Exact Mass: 226.1547694
• Molecular Formula: C10H20B2O4
• Molecular Weight: 225.9
• SMILES: B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C
• Topological: 36.9
• Monoisotopic Mass: 226.1547694
• Synonyms: Bis(neopentyl glycolato)diboron, 5,5,5′,5′-tetramethyl-2,2′-bi(1,3,2-dioxaborinane), DTXSID70370207, DTXCID60321243, 639-407-9, 201733-56-4, Bis(neopentylglycolato)diboron, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane, 2,2′-Bi-1,3,2-dioxaborinane, 5,5,5′,5′-tetramethyl-, Bis(neopentylglycolato) diboron, 5,5,5′,5′-Tetramethyl-2,2′-bi-1,3,2-dioxaborinane, MFCD02093062, TU2GUX2HET, 5,5,5′,5′-Tetramethyl-2,2′-bi-1,3,2-dioxaborinane; Bis(neopentanediolato)diboron;, C10H20B2O4, UNII-TU2GUX2HET, EC 639-407-9, SCHEMBL449902, bis(neopentylglycolato)-diboron, Bis (neopentylglycolato) diboron, bis-(neopentyl glycolato)diboron, bis-(neopentyl glycolato)diborane, 5,5,5′,5′-tetramethyl-[2,2′]bi[[1,3,2]dioxaborinanyl], AKOS015842114, Bis(neopentyl glycolato)diboron, 96%, AB10739, AC-1754, AS-2636, BIS(NEOPENTYL GLYCOLATO)DIBORANE, CS-W009029, FB14545, SY012214, DB-016087, B2254, NS00005420, EN300-200601, 5,5,5,5-Tetramethyl-2,2-bi-1,3,2-dioxaborinane, 5,5,5′,5′-tetramethyl-[2,2′]bi[1,3,2]dioxaborinanyl

Application

Bis(neopentyl glycolato)diboron is a versatile reagent in organic synthesis, particularly for the introduction of boron groups into organic molecules. It is commonly employed in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds in the synthesis of complex organic compounds. Its stability and reactivity make it suitable for pharmaceutical intermediates and agrochemical development. Researchers also utilize it in the preparation of boron-containing polymers and advanced materials.

Safety and Hazards

GHS Hazard Statements

• H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (76.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (69.2%): 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 (76.9%)
• Eye Irrit. 2A (76.9%)
• STOT SE 3 (69.2%)

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