盐酸伐昔洛韦的波谱学研究

Structure Elucidation of Valacyclovir Hydrochloride by NMR Spectroscopy and Mass Spectroscopy

以嘌呤为原料合成盐酸伐昔洛韦(Valacyclovirhydrochloride),经乙酰化反应生成乙酰基嘌呤,水解后与侧链反应,钯碳存在下脱保护、成盐制得目标化合物.采用1HNMR、13CNMR、DEPT、1H1HCOSY、HMQC、HMBC和MS等技术确证目标化合物的分子结构;对其1HNMR、13CNMR信号进行了全归属,MS的主要裂解途径和离子特征也与伐昔洛韦的分子结构相符.

Valacyclovir hydrochloride, 2-[ （2-amino-1, 6-dihydro-6-oxo- 9H-purine-9-yl） methoxy] ethyl-L-valinate hydrochloride, was synthesized from purine through acetylation, hydrolysis, condensation and deprotection reactions. The structure of the target compound was elucidated by combined use of mass spectroscopy and 1D/2D NMR techniques including ^1H and ^13C NMR, DEPT, ^1H-^1H COSY, HMQCand HMBC. The ^1H and ^13C chemical shifts of the compound were completely assigned.