Nashrieh Shimi va Mohandesi Shimi Iran

Nashrieh Shimi va Mohandesi Shimi Iran

Optimizing the Synthesis of the 2,4-dinitroanisole by Taguchi Method Using Chlorobenzene

Document Type : Research Article

Authors
Mohammad Ali Zarei
Dariush Fallah
abolfazl ebrahimi
Mojtaba Piryaee
Academic Complex of Chemistry and Chemical Engineering, Malik Ashtar University of Technology, Tehran, I.R. IRAN
Abstract
In this research, 4,2-dinitroanisole was synthesized through nitration of chlorobenzene by sulfuric acid and nitric acid, and then methylation of 4,2-dinitrochlorobenzene was done by sodium hydroxide and methanol. The effective parameters in the reaction, including temperature, time, molar ratio of reactants, catalyst, etc., were optimized by Minitab 18 software and Taguchi method. In the first step, 4,2-dinitrochlorobenzene was synthesized through the nitration of chlorobenzene by reducing the reaction time and increasing the yield, and then DNAN was synthesized through the methylation of 4,2-dinitrochlorobenzene by reducing the reaction time and temperature in the absence of a catalyst and increasing the synthesis yield. Also, HOMO and LUMO energy levels in DNAN were calculated with B3LYP/6-311G ++ (d,p) basis level -8.2203 and -4.3386 eV, respectively.
Keywords
Explosives
Insensitive Munitions
DNAN
Melt Casting
Taguchi Method

Subjects

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