A series of novel 5-fluorouracil derivatives were designed and synthesized, and the compound N1-(2-(4-Methoxy-2-nitrophenoxy)-2-dimethyl acyloxymethyl)-5-fluorouracil(C(16)H(16)FN3O8, Mr = 397.32) was struct...A series of novel 5-fluorouracil derivatives were designed and synthesized, and the compound N1-(2-(4-Methoxy-2-nitrophenoxy)-2-dimethyl acyloxymethyl)-5-fluorouracil(C(16)H(16)FN3O8, Mr = 397.32) was structurally characterized by 1H-NMR, 13C-NMR, ESI-MS and single-crystal X-ray diffraction. The compound crystallizes in triclinic, space group P1 with a = 5.6725(7), b = 8.7443(19), c = 18.116(3) ?, α = 98.226(17), β = 96.247(12), γ = 94.318(14)°, V = 880.3(3) ?~3, Z = 2, T = 294.12(10) K, μ(Mo Kα) = 0.128 mm^(-1), Dc = 1.499 g/cm3, F(000) = 412 and GOOF = 1.105. 5175 reflections were measured(6.868≤2θ≤52.042°), and 3416 were unique(Rint = 0.0272, Rsigma = 0.0579) and used in all calculations. The final R = 0.0551(I 〉 2σ(I)) and w R = 0.1288(all data). The structure of the crystal was stabilized by hydrogen bonds and the antitumor activity of the compound was analyzed by MTT assay.展开更多
文摘A series of novel 5-fluorouracil derivatives were designed and synthesized, and the compound N1-(2-(4-Methoxy-2-nitrophenoxy)-2-dimethyl acyloxymethyl)-5-fluorouracil(C(16)H(16)FN3O8, Mr = 397.32) was structurally characterized by 1H-NMR, 13C-NMR, ESI-MS and single-crystal X-ray diffraction. The compound crystallizes in triclinic, space group P1 with a = 5.6725(7), b = 8.7443(19), c = 18.116(3) ?, α = 98.226(17), β = 96.247(12), γ = 94.318(14)°, V = 880.3(3) ?~3, Z = 2, T = 294.12(10) K, μ(Mo Kα) = 0.128 mm^(-1), Dc = 1.499 g/cm3, F(000) = 412 and GOOF = 1.105. 5175 reflections were measured(6.868≤2θ≤52.042°), and 3416 were unique(Rint = 0.0272, Rsigma = 0.0579) and used in all calculations. The final R = 0.0551(I 〉 2σ(I)) and w R = 0.1288(all data). The structure of the crystal was stabilized by hydrogen bonds and the antitumor activity of the compound was analyzed by MTT assay.