Description

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde (CAS No. 128376-65-8) is a high-purity boronic ester derivative with the molecular formula C₁₂H₁₅BO₃. This compound features a benzaldehyde moiety tethered to a 5,5-dimethyl-1,3,2-dioxaborinane ring, making it a valuable intermediate in organic synthesis and medicinal chemistry. Its stable boronate ester group enhances reactivity in cross-coupling reactions, such as Suzuki-Miyaura couplings, while the aldehyde functionality offers further derivatization potential. Ideal for researchers in pharmaceutical development, materials science, and chemical biology, this product is rigorously tested for purity and consistency. Available in various quantities, it is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to ensure reliability for sensitive applications.

Properties

• CAS Number: 128376-65-8
• Complexity: 237
• IUPAC Name: 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
• InChI: InChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-5-3-10(7-14)4-6-11/h3-7H,8-9H2,1-2H3
• InChI Key: JUHDMCQVJGHKFW-UHFFFAOYSA-N
• Exact Mass: 218.1114245
• Molecular Formula: C12H15BO3
• Molecular Weight: 218.06
• SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C=O
• Topological: 35.5
• Monoisotopic Mass: 218.1114245
• Synonyms: 128376-65-8, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, Benzaldehyde, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, 4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, MFCD06796332, SCHEMBL2441571, C12H15BO3, DTXSID90400696, JUHDMCQVJGHKFW-UHFFFAOYSA-N, AKOS004116105, AB29407, DS-2183, DB-016035, CS-0130402, D70342, 4-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-benzaldehyde, 4-Formylbenzeneboronic acid 2,2-dimethyl propanediol-1,3 cyclic ester, 4-(5 pound not5-Dimethyl-1 pound not3 pound not2-dioxaborinan-2-yl)benzaldehyde

Application

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde is widely used as a key building block in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds. Its aldehyde group enables further functionalization, making it valuable in the preparation of pharmaceuticals, agrochemicals, and advanced materials. Researchers also employ it in the development of boron-containing probes for bioimaging and sensing applications. The compound’s stability and reactivity make it a preferred choice for combinatorial chemistry and high-throughput screening.

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