阿立哌唑的谱学研究

对抗精神分裂症新药阿立哌唑的紫外光谱(UV)、红外光谱(IR)、核磁共振谱(NMR)以及质谱(MS)进行了解析。根据该化合物的紫外光谱探讨了其在溶液中的存在形式，讨论了红外光谱的特征吸收峰所对应的官能团的振动形式以及质谱的特征同位素离子峰，利用1H—1H cosy，HSQC，HMBC等二维核磁共振技术推断并确证了该化合物的结构，对NMR谱信号进行了归属，并根据化学位移、偶合常数以及二维相关谱分析了该化合物结构中的10个不同的亚甲基。

Spectroscopic Studies of Aripiprazole

The ultraviolet spectrum (UV), infrared spectrum (IR), nuclear magnetic resonance (NMR) and mass spectrum (MS) of aripiprazole, a new antipsychotic drug, were reported and interpreted. The structure of aripiprazole in solution was studied according to the UV spectra detected in solution with different pH values. The vibrations of functional groups of this compound in IR and the isotopic ion peaks in MS were discussed. Moreover, the 2D-NMR techniques, including 1H-1H correlation spectroscopy (1H-1H cosy), heteronuclear single-quantum coherence (HSQC), and heteronuclear multiple-bond correlation (HMBC), were used to deduce the structure of this compound. All the 1H NMR and 13C NMR signals were assigned. Especially, the ten different methylenes in this structure were analyzed according to the chemical shifts, coupling constants and correlations in 2D-NMR spectrum. By all these spectral techniques, the structure of aripiprazole was identified.