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<p>A novel and an efficient procedure have been developed to synthesize ester derivatives through an oxidative esterification of aldehyde in the presence of a novel polymer supported cobalt catalyst PS-[CoCl<sub>2</sub>(MeTBBz-H)]. It provides a sustainable, environmentally friendly, and cost-effective method for synthesizing ester analogues. DFT calculations predict the interaction energies, and this unravels the thermodynamic favourability, kinetic accessibility, and high catalytic efficiency of the system. Additionally, the catalyst is recoverable, stable and reusable six times without much loss of its activity. High product yields (96%) in a short experimental time and easy workup are other advantages of the present method. All synthesized esters were characterized by NMR spectroscopy and mass spectrometry. The large negative reaction energy (−9.22&#xa0;kcal mol<sup>-1</sup>) underline the thermodynamic favourability, kinetic accessibility, and high catalytic efficiency of the system.</p>

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Novel Polymer Supported Cobalt(II) Catalysed Oxidative Esterification of Aldehyde and Its DFT-Based Evaluation Insight into the Mechanistic Studies

  • 期刊论文

  • 发表日期：

    2026年4月16日

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  • Priya Vimal,
  • C. P. Babu Rajeev,
  • Nayela Javeed,
  • Ganga Periyasamy,
  • V. Gayathri

摘要

A novel and an efficient procedure have been developed to synthesize ester derivatives through an oxidative esterification of aldehyde in the presence of a novel polymer supported cobalt catalyst PS-[CoCl2(MeTBBz-H)]. It provides a sustainable, environmentally friendly, and cost-effective method for synthesizing ester analogues. DFT calculations predict the interaction energies, and this unravels the thermodynamic favourability, kinetic accessibility, and high catalytic efficiency of the system. Additionally, the catalyst is recoverable, stable and reusable six times without much loss of its activity. High product yields (96%) in a short experimental time and easy workup are other advantages of the present method. All synthesized esters were characterized by NMR spectroscopy and mass spectrometry. The large negative reaction energy (−9.22 kcal mol-1) underline the thermodynamic favourability, kinetic accessibility, and high catalytic efficiency of the system.