Description

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole (CAS No. 928664-98-6) is a high-purity boronic ester derivative with the molecular formula C₉H₁₄BNO₃. This compound features a stable pinacol boronate group coupled with an isoxazole ring, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed transformations. Its well-defined structure ensures consistent reactivity, ideal for pharmaceutical research, agrochemical development, and materials science applications. Packaged under inert conditions to prevent degradation, this product is rigorously tested via NMR, HPLC, and mass spectrometry to guarantee ≥95% purity. Suitable for use in organic synthesis, ligand design, and heterocyclic chemistry, it is available in quantities ranging from milligrams to kilograms with custom packaging options.

Properties

• CAS Number: 928664-98-6
• Complexity: 216
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole
• InChI: InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3
• InChI Key: LXCICYRNWIGDQA-UHFFFAOYSA-N
• Exact Mass: 195.1066735
• Molecular Formula: C9H14BNO3
• Molecular Weight: 195.03
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CON=C2
• Topological: 44.5
• Monoisotopic Mass: 195.1066735
• Synonyms: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole, DTXSID50585938, DTXCID50536703, 928664-98-6, 4-Isoxazoleboronic acid pinacol ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole, ISOXAZOLE-4-BORONIC ACID PINACOL ESTER, MFCD06657891, 4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2-OXAZOLE, Isoxazol-4-ylboronic acid pinacol ester, LXCICYRNWIGDQA-UHFFFAOYSA-N, 4-isooxazolylboronic acid pinacol ester, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoxazole, Isoxazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SCHEMBL142345, AKOS006293858, 4-Isoxazoleboronic acid, pinacol ester, AB25740, CS-W001065, DS-13033, SY025655, 4-Isoxazoleboronic acid pinacol ester, 95%, EN300-212573, Z1198169385

Application

This compound serves as a key building block in palladium-catalyzed cross-coupling reactions, enabling the synthesis of complex biaryl and heteroaryl structures. It is particularly valuable in medicinal chemistry for constructing drug-like scaffolds targeting kinase inhibitors or antimicrobial agents. The isoxazole moiety also facilitates applications in functional material design, such as OLEDs or sensors.

Safety and Hazards

GHS Hazard Statements

• H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (90.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (90.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (90.5%)
• Acute Tox. 4 (90.5%)
• Acute Tox. 4 (90.5%)

If you are interested or have any questions, please contact us at support@atomfair.com

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