Four new 1,5-benzothiazepines were synthesized by reaction of o-aminothiophenol with curcumin and curcuminoid β-diketones, in methanol acetic acid. The mechanism involves a Michael addition on the CC double bond affording benzothiazepine two pendant groups, an aryl group adjacent to sulfur atom 1-phenylethanone NH seven membered ring. 1D 2D multinuclear NMR (1H, 13C, 15N, 119F) solution 13C 15N...

MINDO-Forces calculations with complete geometry optimization have been performed on nitromethane, aci-nitromethane and X-substituted nitromethane and aci-nitromethane (X = F, OH, NH2, CH3, CN, CF3, NO2, CHO). It is found that nitromethane is more stable than aci-nitromethane by 9.337 kcal/mol. This agrees with theoretical calculations. Thermodynamically, substituted acinitro tautomers are more...