奥美拉唑关键中间体杂质5-甲氧基苯并d噁唑-2(3H)-硫酮的分离及结构确证

摘要

The impurity,5-methoxybenzo[d]oxazole-2(3H)-thione, was separated firstly from 5-me-thoxy-1H-benzo[d]imidazole-2-thiol, the key intermediate of Omeprazole.The structure was con-firmed by 1H NMR, 13C NMR,IR,HR-MS(ESI)and X-ray single crystal diffraction.The formation mechanism of this impurity was speculated and verified as well.%首次从奥美拉唑关键中间体5-甲氧基-1H-苯并[d]咪唑-2-硫醇中分离得到杂质5-甲氧基苯并[d]噁唑-2 (3H)-硫酮,其结构经1H NMR, 13C NMR,IR,HR-MS(ESI)和X-射线单晶衍射确证.并对该杂质的形成机制进行了推测和验证.