Catalyst-free synthesis of acenaphthoindolopyrimidine derivatives.

A one pot three component reaction of acenaphthoquinone, barbituric acid/thiobarbituric acid/N,N-dimethyl barbituric acid and arylamines in ethanol for the synthesis of acenaphthoindolopyrimidine derivatives is reported. The reactions take place without a catalyst and gentle conditions. This method is facile and has some benefits such as, readily available starting materials, green solvent, catalyst-free, no column chromatographic purification and good to high yields.

One-pot synthesis of dihydro-8H acenaphtho[1',2':4,5]pyrrolo[1,2-a]imidazole-diol derivatives.

A simple and efficient method for the synthesis of dihydro-8H-acenaphtho[1',2':4,5]pyrrolo[1,2-a]imidazole-diol derivatives via one-pot, four-component reaction of 1,1-bis(methylthio)-2-nitroethene, various amines, and acenaphthoquinone was developed. All the reactions were carried out in ethanol at reflux without any catalyst. The main advantages of this method are good to high yields, experimental simplicity, mild reaction conditions, simple workup, and easy purification.

Influence of functional groups in chemical reactivity and optoelectronic properties of novel glycidyl nitrate copolymers (GNCOP): a DFT study.

INTRODUCTION: Nowadays, propulsion materials are receiving increased attention as an important component in electric motors. So, awareness of their chemical reactivity and geometric and electronic structures can help to make materials with higher quality and efficiency. In this study, we have proposed novel glycidyl nitrate copolymers (GNCOPs) and meta-substituted derivatives as propulsion materials. METHOD: Based on density functional theory (DFT) method, chemical reactivity indices have been calculated for predicting their behavior in burning process. RESULT AND DISSCUSSION: Adding functional groups changes reactivity of the GNCOP compound, especially, in the -CN functional group, chemical potential, chemical hardness, and electrophilicity change -0.374, +0.007, and +1.342eV, respectively. In addition, these compounds have dual properties in interaction with oxygen molecule. Optoelectronic study in time-dependent DFT framework shows that there are three peaks with significant excitations. CONCLUSION: In conclusion, adding functional group into the GNCOPs can introduce new materials with high energetic properties.