Description

3,6-Dihydro-2H-pyridine-1-N-boc-4-boronic acid neopentylglycol ester (CAS No. 1167991-21-0) is a high-purity boronic ester derivative featuring a protected amine group (Boc) and a cyclic neopentylglycol boronate moiety. With the molecular formula C₁₅H₂₆BNO₄, this compound is a valuable intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, where its sterically hindered boronate group enhances stability and reactivity. The IUPAC name, tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate, reflects its precise chemical structure. Ideal for pharmaceutical and materials science research, this compound is supplied with rigorous QC validation (HPLC, NMR) to ensure consistency and performance. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1167991-21-0
• Complexity: 418
• IUPAC Name: tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• InChI: InChI=1S/C15H26BNO4/c1-14(2,3)21-13(18)17-8-6-12(7-9-17)16-19-10-15(4,5)11-20-16/h6H,7-11H2,1-5H3
• InChI Key: UFNYQCSGFXGPFD-UHFFFAOYSA-N
• Exact Mass: 295.1954885
• Molecular Formula: C15H26BNO4
• Molecular Weight: 295.18
• SMILES: B1(OCC(CO1)(C)C)C2=CCN(CC2)C(=O)OC(C)(C)C
• Topological: 48
• Monoisotopic Mass: 295.1954885
• Synonyms: 1167991-21-0, 3,6-DIHYDRO-2H-PYRIDINE-1-N-BOC-4-BORONIC ACID NEOPENTYLGLYCOL ESTER, tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,6-dihydropyridine-1(2h)-carboxylate, tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate, 1(2H)-Pyridinecarboxylic acid, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydro-, 1,1-dimethylethyl ester, SCHEMBL3466731, UFNYQCSGFXGPFD-UHFFFAOYSA-N, AKOS025405170, tert-butyl-4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate, BS-19288, DB-160319, CS-0175401, E85433, Tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydro-1(2h)-pyridinecarboxylate, Tert-butyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3,6-dihydropyridine-1(2h)-carboxylate, tert-butyl4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,6-dihydropyridine-1(2h)-carboxylate

Application

This boronic ester is widely used in palladium-catalyzed cross-coupling reactions to construct biaryl and heteroaryl scaffolds in drug discovery. Its Boc-protected amine and stabilized boronate group make it suitable for sequential functionalization in multistep syntheses. Researchers also employ it in the development of boron-containing polymers and optoelectronic materials.

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