Study reports aqueous one-pot 1,3-oxazine synthesis with nano-eggshell/B(III) catalyst and DFT

A laboratory study reports a three-component, one-pot cyclocondensation for synthesizing a series of naphtho[1,2-e][1,3]oxazines in water. The reaction combines β-naphthol, formaldehyde and various amines using nano-eggshell/B(III) as a Lewis acid heterogeneous catalyst, according to the study abstract.

The investigators characterized the catalyst using Fourier-transform infrared spectroscopy, X-ray diffraction, thermogravimetric analysis, energy-dispersive X-ray spectroscopy, elemental mapping, field-emission scanning electron microscopy and transmission electron microscopy. The abstract also reports agreement between the experimental results and density functional theory calculations, although it does not provide the computational settings, calculated energy profiles or other simulation details.

The proposed method is described as offering shorter reaction times, mild conditions, simple workup and a reduced environmental impact compared with unspecified alternatives. The authors also characterize the approach as non-polluting. These broader assessments are reported in the abstract, but no numerical reaction times, yields, catalyst loadings, substrate scope, catalyst-reuse data or comparative benchmark results are included in the supplied evidence.

The available material is limited to article metadata and the abstract, rather than the full study and supporting information. Consequently, the catalyst-preparation procedure, individual reaction conditions, experimental results and mechanistic interpretation cannot be independently evaluated from the supplied text. The findings are relevant to heterogeneous catalysis and aqueous synthetic chemistry, but the abstract alone does not establish performance beyond the reported series of naphtho[1,2-e][1,3]oxazine-forming reactions.

Subject of Research: Heterogeneous catalysis for aqueous one-pot synthesis of 1,3-oxazines with density functional theory analysis

Article Title: Nano-eggshell/B(III)as a highly efficient heterogeneous catalyst for the synthesis of 1,3-oxazines in aqueous media, along with DFT simulations

Article References: Tafti, A. D., Mirjalili, B. F., Basharnavaz, H., & Bamoniri, A. (2026). Nano-eggshell/B(III)as a highly efficient heterogeneous catalyst for the synthesis of 1,3-oxazines in aqueous media, along with DFT simulations. Scientific Reports. https://doi.org/10.1038/s41598-026-74317-6

Image Credits: AI Generated

DOI: 10.1038/s41598-026-74317-6

Keywords: nano-eggshell catalyst, boron catalyst, 1,3-oxazines, aqueous synthesis, one-pot reaction, heterogeneous catalysis, density functional theory, cyclocondensation, Nano-eggshell, highly, efficient, heterogeneous