Selective synthesis of furfuryl acetate over solid acid catalysts and active site exploration using density functional theory

Vaishnavi, B. J.; Sujith, S.; Vaibhava, K. M. Rajashekhar; Bhat, P. Jyothi; Vetrivel, R.; Shanbhag, Ganapati V.

doi:10.1039/d2cy00334a

Cited by 2 publications

(2 citation statements)

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“…These include palladium nanoparticles supported on mesoporous silica nanoparticles (MSNs), [19] polyethyleneimine supported nano zirconium chromate [32] or a RuO 2 ‐Supported Mn 3 O 4 catalyst [2] . Al‐SBA‐15‐based catalysts have been previously reported although in different reactions involving furfuryl alcohol, namely for the conversion of xylose to furfuryl alcohol [33] and for the esterification of furfuryl alcohol to furfuryl acetate [34] …”

Section: Introductionmentioning

confidence: 99%

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Iron(III) Arylhydrazone Complexes Immobilized on Amine‐Functionalized Mesoporous Silica: Catalysts for the Valorization of Biomass‐Derived Furfuryl Alcohol

et al. 2023

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The aquasoluble FeIII complexes [Fe(H2O)3(L1)] ⋅ 4H2O (Fe1) and [Fe(H2O)3(L2)] ⋅ 3H2O (Fe2), bearing the basic forms of 5‐chloro‐3‐(2‐(4,4‐dimethyl‐2,6‐dioxocyclohexylidene)hydrazinyl)‐2‐hydroxy‐benzenesulfonic acid (H3L1) and 3‐(2‐(2,4‐dioxopentan‐3‐ylidene)hydrazinyl)‐2‐hydroxy‐5‐nitrobenzenesulfonic acid (H3L2), were incorporated for the first time into amine‐functionalized SBA‐15 support via an impregnation method. The successful preparation of the composites was confirmed by Fourier‐Transform Infrared spectroscopy (FT‐IR), powder X‐ray diffraction (XRD), scanning electron microscope (SEM/EDS), transmission electron microscopy (TEM), elemental analysis, and nitrogen adsorption‐desorption isotherms. The resulting Fe1@aptesSBA‐15 and Fe2@aptesSBA‐15 composites were tested as the first SBA‐15‐based heterogeneous catalysts for the conversion of furfuryl alcohol under mild reaction conditions (80 to 100 °C) and with an environmentally friendly oxidant (TBHP, 70 % aq. sol. with 1 : 1 oxidant/substrate molar ratio). The influence of various factors, such as reaction time, amounts of oxidant and catalyst, was investigated. The reaction time can be fairly reduced by adopting a microwave‐assisted method allowing it to reach complete conversion after 0.25 h, in the absence of any added solvent or additive. Under these conditions, a vigorous furfuryl alcohol polymerization process occurred, with furfural as a by‐product. Recycling studies were carried out for Fe2@aptesSBA‐15 and after four consecutive runs, the overall conversion of furfuryl alcohol remained high (≥99 %), without an appreciable change in the obtained yield.

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Section: Introductionmentioning

confidence: 99%

“…[2] Al-SBA-15-based catalysts have been previously reported although in different reactions involving furfuryl alcohol, namely for the conversion of xylose to furfuryl alcohol [33] and for the esterification of furfuryl alcohol to furfuryl acetate. [34] Thus, in this work we focused on the following aims:…”

Section: Introductionmentioning

confidence: 99%

Iron(III) Arylhydrazone Complexes Immobilized on Amine‐Functionalized Mesoporous Silica: Catalysts for the Valorization of Biomass‐Derived Furfuryl Alcohol

et al. 2023

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Systematic establishment of the relationship between skin absorption and toxicity of furanoids via in silico, in vitro, and in vivo assessments

Lin,

Hsiao,

Chen

et al. 2024

Environmental Research

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Selective synthesis of furfuryl acetate over solid acid catalysts and active site exploration using density functional theory

Abstract: Sulfated zirconia is reported to be an efficient catalyst to make furfuryl acetate via esterification. This study is an integration of experimental and DFT that correlates the hydrogen removal energy with catalytic activity.

Cited by 2 publications

References 39 publications

Iron(III) Arylhydrazone Complexes Immobilized on Amine‐Functionalized Mesoporous Silica: Catalysts for the Valorization of Biomass‐Derived Furfuryl Alcohol

Iron(III) Arylhydrazone Complexes Immobilized on Amine‐Functionalized Mesoporous Silica: Catalysts for the Valorization of Biomass‐Derived Furfuryl Alcohol

Systematic establishment of the relationship between skin absorption and toxicity of furanoids via in silico, in vitro, and in vivo assessments

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