利用水热法制备了单晶体化合物[C_3H_(12)N_2]_3[P_2Mo_5O_(23)]·4H_2O(1),并通过单晶X-射线衍射和元素分析对其进行了结构表征。通过正交试验对其催化合成阿司匹林的性能进行了初步研究,确定了其催化合成阿司匹林的最佳条件:催化剂用量0.15 g,反应时间为30 min,反应温度85℃。表明该单晶体化合物可以替代传统催化剂浓硫酸合成阿司匹林,有望成为未来绿色制药工业的新型催化剂。 Single crystal compound [C_3H_ (12) N_2] _3 [P_2Mo_5O_ (23)] · 4H_2O (1) was prepared by hydrothermal method and characterized by single crystal X-ray diffraction and elemental analysis. The orthogonal test was used to study the catalytic performance of aspirin. The optimal conditions for the synthesis of aspirin were determined: catalyst dosage 0.15 g, reaction time 30 min, reaction temperature 85 ℃. This single crystal compound can replace the traditional catalyst of concentrated sulfuric acid to synthesize aspirin and is expected to become a new catalyst for the green pharmaceutical industry in the future.