Experimental and numerical investigation of the reaction of 2,4-thiazolidinedione and p-methoxybenzaldehyde in microreactors for the production of drugs for diabetes mellitus type 2 treatment

Autor(es)

Vieira, Rodrigo de Oliveira ; Silva Jr, Joao Lameu ; Meira, Paula Almeida ; Bressan, Gabriel Lima ; Calvo, Paulo Victor Cuesta ; Santana, Harrson Silva ; Palma, Mauri S. A.

• Tipo de documento: Artigo Científico
• Fonte: CANADIAN JOURNAL OF CHEMICAL ENGINEERING; v. N/A, p. 16-pg., 2023-05-08.

Resumo

The use of microreactors (MRs) in chemical and pharmaceutical industries allows for a series of advantages due to their reduced sizes regarding conventional batch reactors. In the present paper, the transposition of the reaction between 2,4-thiazolidinedione (TZD) with p-methoxybenzaldehyde from batch to a continuous capillary MR was carried out. The microdevice performance was evaluated experimentally and numerically by computational fluid dynamics (CFD). The batch process yielded 92% in 480 min using piperidine for equimolar reactant feed, while the pyrrolidine promoted a 100% yield in a 50 min, both using solvent ethanol. Kinetic and thermodynamic parameters of the synthesis using piperidine and pyrrolidine were also obtained from experimental data. In the transposition to flow chemistry, ethanol was also used as solvent and a product yield of 100% (140?, pyrrolidine) was obtained for a residence time of 20 min, representing a reduction of 24 times in the reaction time. In the numerical simulations by CFD, two mathematical models were elaborated: a transient batch and a steady-state continuous flow. Both models exhibited good agreement with experimental data. The average relative deviations of TZD conversion and the reaction yields in MRs were, respectively, 0.23% and -7.1% (78?) and 1.7% and 1.2% (140?). (AU)

• Processo FAPESP: 16/20842-4 - Desenvolvimento de uma microplanta química para produção de biodiesel baseada em microrreatores
• Beneficiário: Osvaldir Pereira Taranto
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 14/07757-2 - Microreatores na síntese de fármacos
• Beneficiário: Mauri Sergio Alves Palma
• Modalidade de apoio: Auxílio à Pesquisa - Regular