Multivariate Analysis in Selective Nitroacetophenone Conversion by Hydrogen Sulfide under Phase Transfer Catalysis

Abstract

Response surface methodology (RSM) was employed to model and optimize an improved Zinin reduction of a nitroarene, p-nitroacetophenone (p-NAP), by hydrogen sulfide (H2S) under biliquid phase transfer catalysis. A novel Zinin reagent, H2S laden aqueous N-methyldiethanolamine (MDEA) solution, was prepared and used for this purpose. A quadratic regression model was tested with a multivariate experimental design based on the relationship between p-NAP conversion (response) and four independent variablestemperature, catalyst concentration, p-NAP–sulfide mole ratio, and MDEA concentration. The optimum values of the independent variables were found as temperature 339.45 K, catalyst concentration of 0.082 kmol/m3, p-NAP/sulfide mole ratio of 0.452, MDEA concentration of 2.20 kmol/m3, and maximum p-NAP conversion of 96.31% has been attained. The analysis of variance (ANOVA) has been used to evaluate the goodness of the fit of the model, and the desirability function has been used to find the value of the optimized parameters to maximize the p-NAP conversion.

A greatly improved procedure for the synthesis of an antibiotic-drug candidate 2,4-diacetylphloroglucinol over silica sulphuric acid catalyst: multivariate optimisation and environmental assessment protocol comparison by metrics

“…Furthermore, in order to meet the suitable operation conditions for the synthesis of DAPG as well as to explain the effects of the factors on the selected response, the design of experiment (DoE) using response surface methodology (RSM) was performed. [35][36][37] Hence, the three variables, namely, the temperature, catalyst loading, and reaction time, were selected. In addition, the developed procedure for DAPG has been compared with previously established literature (Scheme 2) using the EATOS soware and the Andraos' algorithm, along with energy calculation metric, in order to assess any process, information, and versatile outputs related to the "greenness" of the chemical reaction.…”

Biomass conversion and upgrading over carbon catalyst

“…Given that there may be as much as five factors in cellulose conversion reactions and the factors may correlate with each other, it is neither practical nor efficient to use the "trial-and-error" to do condition optimization. [148]. RSD was also applied to the optimization of conversion of methane to liquid fuels over copper catalyst [149].…”