Building a Mathematical Model Synthesis of Methyl Ether 5-Acetyl-2- Pyrrolecarboxylic Acid

Abstract

Currently, mathematical modeling has become a common method of scientific knowledge and the creation of objects in many fields of science and technology. For chemical engineering simulation is the theoretical basis and method of solving the problems associated with the definition of the optimal conditions of catalytic processes and the creation of complex automation systems. Mathematical modeling of catalytic processes allows, without resort to complicated and expensive natural experiments designed to explore the many features of the processes, use mathematical optimization techniques in order to find the optimum operating conditions. The general scheme of mathematical modeling was formulated by academician AA Samarskim [1]. Catalytic synthesis reaction of aromatic and heterocyclic compounds, such as synthesis of methyl ether 5-acetyl-2-pyrrolecarboxylic acid, possess a wide range of applications. Methyl ether 5-acetyl-2-pyrrolecarboxylic acid of great interest to obtain porphyrins and drugs. Pyrrolecarboxylic acid exhibit higher biological activity. Derivatives of 5-pyrrolecarboxylic acid possess an antiviral effect, in particular, they actively suppress classical fowl plague viruses [2] and the sodium salt of 2-aryl-5-pyrrolecarboxylic acid exhibit anticonvulsant activity [3]. The aim is the creation of physical-chemical model of synthesis of methyl 5-acetyl-2-pyrrolecarboxylic acid reacting 2-acetylpyrrolyl with carbon tetrachloride and methanol under the influence of iron catalysts and carrying out its formalization, t. E. Drawing up a mathematical model, which is a system of relations reflecting the basic conservation laws (mass, energy, momentum, etc.).