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Upstream product

• 105-45-3 acetoacetic acid methyl ester 
• 529-20-4 2-methylphenyl aldehyde 
• 57-13-6 urea 

Relevant academic research and scientific papers

Microwave-assisted high-speed parallel synthesis of 4-aryl-3,4- dihydropyrimidin-2(1H)-ones using a solventless biginelli condensation protocol

4-Aryl-3,4-dihydropyrimidin-2-(1H)-ones 4a-o are synthesized by a microwave-promoted, solvent-free modification of the Biginelli three- component cyclocondensation reaction. The novel method employs neat mixtures of β-ketoesters, aryl aldehydes, and urea

Interrogation of 2,2′-Bipyrimidines as Low-Potential Two-Electron Electrolytes

As utilization of renewable energy sources continues to expand, the need for new grid energy storage technologies such as redox flow batteries (RFBs) will be vital. Ultimately, the energy density of a RFB will be dependent on the redox potentials of the respective electrolytes, their solubility, and the number of electrons stored per molecule. With prior literature reports demonstrating the propensity of nitrogen-containing heterocycles to undergo multielectron reduction at low potentials, we focused on the development of a novel electrolyte scaffold based upon a 2,2′-bipyrimidine skeleton. This scaffold is capable of storing two electrons per molecule while also exhibiting a low (～-2.0 V vs Fc/Fc+) reduction potential. A library of 24 potential bipyrimidine anolytes were synthesized and systematically evaluated to unveil structure-function relationships through computational evaluation. Through analysis of these relationships, it was unveiled that steric interactions disrupting the planarity of the system in the reduced state could be responsible for higher levels of degradation in certain anolytes. The major decomposition pathway was ultimately determined to be protonation of the dianion by solvent, which could be reversed by electrochemical or chemical oxidation. To validate the hypothesis of strain-induced decomposition, two new electrolytes with minimal steric encumbrance were synthesized, evaluated, and found to indeed exhibit higher stability than their sterically hindered counterparts.

Reduction of Biginelli compounds by LiAlH4: a rapid access to molecular diversity

Herein, the reduction of Biginelli compounds by LiAlH4 was investigated for the first time. The reduction of urea-derived dihydropyrimidinones yielded 80-95% of hydrogenolysis products (4-aryl-5-(m)ethyl-6-methyl-3,4-dihydropyrimidin-2(1H)-ones

Ultrasonic-assisted surface-modification of nanosilica chloride and its use for synthesis of 3,4-dihydropyrimidinones

Nanosilica chloride was prepared with modification of the surface by applying ultrasonic irradiation and has been employed as an efficient, heterogeneous and effective catalyst in the preparation of 3,4- dihydropyrimidinones (DHPMs) under solvent-free con

Gypsum-catalyzed one-pot synthesis of 3,4-Dihydropyrimidin-2(1H)-ones under solvent-free conditions

In view of the emerging importance of the green chemistry principles in chemical and pharmaceutical industries, we disclose, herein, a new economic approach producing the biologically active dihydropyrimidinones in good yields using the solventless one-po

Conformational analysis of 4-aryl-dihydropyrimidine calcium channel modulators. A comparison of ab initio, semiempirical and X-ray crystallographic studies

The conformational features of 4-aryl-dihydropyrimidine calcium channel modulators were investigated by computational and X-ray crystallographic studies. The geometries of dihydropyrimidines 8-11 were fully optimized using ab initio (HF/3-21G) and semiempirical (AM1, AM1/MM, PM3, PM3/MM) methods, and rotational barriers for important functional groups determined. All computational treatments predict the lowest energy conformation to be identical with the recently proposed receptor-bound geometry.