Synthesis And Properties Of Silane Coupling Agents And Silatranes Containing Benzoyl Thioureas

Silane coupling agents are used as special additives in material science and technology; In order to meet the manifold needs of the material science, varied silane coupling agents must be prepared and used. Nine benzoyl thioureas silane coupling agents were synthesized from substituted benzoic acid through chloridization, isothiocyanidation, and then reacted with aminopropyl triethoxyl silane. Their structures were showed as follows:These compounds were characterized by IR, ~1HNMR, MS and elemental analysis. Their water resistance and shearing cohesiveness were tested, and the results showed that all the compounds had obviously water resistance and cohesiveness, among them 18 was excellent.Silatranes are new-type organosilicon compounds with specific molecular structure and diverse biological activities. Ten benzoyl thioureas containing silatrane were synthesized from substituted benzoic acid through chloridization, isothiocyanidation, and then reacted with aminopropylsilatrane. The compounds were showed as follows:The structures of the compounds were confirmed by spectrum analysis, their properties and reaction conditions were preliminarily investigated. It was found from biological test that some of the compounds had good fungicidal activity. The molecular geometry conformations of the target compounds were predicted and optimized using the density functional theory (DFT) at the B3LYP/6-31G levels. The quantitative relationship between their structures and fungicidal activities wasstudied.