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Intelligence Way from Eco-friendly Synthesis Strategy of New Heterocyclic Pyrazolic Carboxylic a-Amino Esters
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作者 EI Houssine MABROUK Nadia ARROUSSE +8 位作者 Adil KORCHI Mohammed LACHGAR Ahmad OUBAIR Abdelrhani ELACHQAR Mohamed JABHA Mohammed LACHKAR Fadoua El HAJJAJI Zakia RAIS Mustapha TALEB 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2020年第6期1183-1189,共7页
The a-amino acid derivatives constitute a class of compounds of particular medicinal and synthetic attention and considerable interest has been devoted to their synthesis in recent years.In the present work,we develop... The a-amino acid derivatives constitute a class of compounds of particular medicinal and synthetic attention and considerable interest has been devoted to their synthesis in recent years.In the present work,we develop the computational study of the synthesis reaction of new pyrazolyl a-amino esters derivatives using the Gaussian 09based on the DET/B3LYP density functional theorv method,with the base 6-31G(d.p)to ensure the possibility of carrying out these reactions within the laboratory of synthesis.Indeed,this research has encouraged us to establish an economical synthesis strategy of these products in overall vields of 73.5%to 87%to have access to new active biomolecule through the O-alkvlation reaction between methyl a-azidoglycinate N-benzoylated and primary pyrazole alcohols(3,5-dimethyl-1 H-pyrazol-1-yl)methanol,(1H-pyrazol-1-yl)methanol and(3-ethoxy-5-methyl-1H-pyrazol-1yl)methanoll under different operating conditions.The structure of the prepared heterocyclic systems was characterized by conventional spectroscopic techniques,like H NMR.I3℃NMR,and MS.The results revealed that the experimental study is in good correlation with the computational one. 展开更多
关键词 a-Pyrazolyl amino ester Methyl a-azido glycinate N-benzoylated O-ALKYLATION DFT/B3LYP/6-31G(d p)
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