1144103-00-3Relevant academic research and scientific papers
Synthesis of new Mannich Bases derived from 5-phenyl-1,3,4-oxadiazole-2- thione and investigation of the conformational isomers of dimethyl 5-(5-phenyl-2-thioxo-1,3,4-oxadiazole-3-methylamino)isophthalate
Roman, Gheorghe,Agache, Costel,Manciulea, Ileana,Comani?ǎ, Eugenia,Dumitrescu, Lucia
experimental part, p. 1103 - 1110 (2009/09/08)
A series of new N-aminomethylation compounds has been obtained from 5-phenyl-1,3,4-oxadiazole-2-thione through reaction with formaldehyde and less common aliphatic and aromatic amines. The conformational isomers of 5-(5phenyl-2-thioxo-1,3,4-oxadiazole-3-methylamino)isophthalate have been investigated using the STO-2G basis set. Four minimum energy structures have been found on the electronic potential energy surface. The relative stability of conformational isomers and the barrier height for conformational interconversion are presented.
