“…Color variation indicates the effect of factor interaction. The curved and nearly round or oval shape of the 2D contour plots signifies the relevant characteristics of RSM optimization [ 78 ]. Fig.…”
“…Color variation indicates the effect of factor interaction. The curved and nearly round or oval shape of the 2D contour plots signifies the relevant characteristics of RSM optimization [ 78 ]. Fig.…”
“…RSM is frequently used in conjunction with BBD to optimize the response factor by employing a three-level factorial design. This approach was successfully applied in the current study to find the optimal conditions for the homogeneous synthesis of OE …”
Section: Methodsmentioning
confidence: 99%
“…This approach was successfully applied in the current study to find the optimal conditions for the homogeneous synthesis of OE. 32 The optimal value was predicted using a second-order quadratic model, which was also used to investigate the relationship between the response variable (yield%) and a few other variables (process parameters). The quadratic model is described as follows:…”
2-Ethyl-3-oxazolidineethanol (OE) is an important pharmaceutical intermediate for the treatment of dental plaque. A systematic investigation of the one-pot synthesis of OE from propanal (PA) and diethanolamine (DEA) was conducted herein. The process was carried out under mild reaction conditions without any addition of catalyst, and the product was characterized by Fourier transform infrared spectroscopy (FT-IR), 1 H nuclear magnetic resonance (NMR), and electrospray ionization-tandem mass spectrometry (ESI-MS/MS). Additionally, the effects of the PA/DEA ratio, methanol/DEA ratio, reaction time, and temperature on the reaction results were explored. Based on the singlefactor experiments, response surface methodology (RSM) was used to optimize the reaction conditions and it achieved a high OE yield of 98.48%, which is close to the prediction value of 98.38%. Furthermore, the reaction kinetics were calculated utilizing the secondorder kinetic model, and activation energies of the forward and reverse reactions were 31.35 and 41.85 kJ•mol −1 , respectively. Under the optimization reaction conditions, OE was efficiently synthesized, indicating a significant potential for industrial applications.
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