Zeynab Hashemi
1, Zahra Najafi
2, Seyed Omid Hashemi
3, Jamil Eiri
3, Gholamabbas Chehardoli
1* 
1 Department of Medicinal Chemistry, School of Pharmacy, Medicinal Plants and Natural Products Research Center, Hamadan University of Medical Sciences, Hamadan, Iran
2 Department of Medicinal Chemistry, School of Pharmacy, Hamadan University of Medical Sciences, Hamadan, Iran
3 BhanSar Pharmaceutical Factory, Kaveh Industrial City and Special Economic Zone, Saveh, Iran
Abstract
An important issue in manufacturing theophylline and caffeine for industrial-scale production is identifying the most efficient method. This process involves achieving high efficiency, minimizing costs, utilizing affordable raw materials, and ensuring compatibility with existing equipment. This study presents a simple and cost-effective method for synthesizing theophylline and caffeine. To achieve this goal, the study focused on optimizing the laboratory-scale synthesis of these compounds straightforwardly and cost-effectively. Theophylline and caffeine were synthesized through a multi-step process using dimethylurea and cyanoacetic acid as starting materials. The synthesis was successful, and the yield of these two substances was relatively acceptable. In addition, the structures of the prepared theophylline and caffeine were confirmed through Fourier transform infrared, hydrogen-1 nuclear magnetic resonance, and mass spectrometry. The physical and spectrometric data for these two substances were entirely consistent with the information found in the reference books. This research represents the initial phase in synthesizing these compounds on a semi-industrial scale. However, further investigation is necessary in this regard.