One‐step synthesis of aminopyrimidines from 5‐Oxo‐4H‐benzopyrans |
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Authors: | Esperanza Salfr n,Carlos Seoaneb,Margarita Su rez,Yamila Verdecia,Amaury Alvarez,Estael Ochoa,Roberto Martí nez‐Alvarez,Nazario Martí n |
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Affiliation: | Esperanza Salfrán,Carlos Seoaneb,Margarita Suárez,Yamila Verdecia,Amaury Alvarez,Estael Ochoa,Roberto Martínez‐Alvarez,Nazario Martín |
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Abstract: | Novel 4‐amino‐6‐aryl‐2‐phenylpyrimidine‐5‐carbonitriles have been prepared in one step procedure from the readily available 4‐aryl‐2‐amino‐3‐cyano‐5,6,7,8‐tetrahydro‐7,7‐dimethyl‐5‐oxo‐4H‐benzopyrans. The mass spectroscopy study under EI conditions shows molecular peaks with high intensity corresponding to the loss of benzonitrile from the C2 position of the pyrimidine ring. Semiempirical (AMI and PM3) and ab initio HF/6–31G* calculations reveal a favored distorted geometry where the three rings are not in the same plane. |
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