Synthesis and Structural Studies of Three Uracil Derivatives, Methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanate, Methyl 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate and Ethyl 3-(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl)propanoate

被引：0
作者：
Liu, Wuqiang [1 ]
Feng, Xiaogang [1 ]
Tao, Yangyang [1 ]
Zhou, Zheng [1 ]
Wu, Guanghui [1 ]
Xiong, Jing [1 ]
机构：
[1] Wenzhou Univ, Coll Chem & Mat Engn, Wenzhou 325035, Peoples R China
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2014年 / 44卷 / 11-12期
关键词：
Methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate; Methyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate; Ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate; Crystal structure; NMR spectra; FUNDAMENTAL FREQUENCIES; POTENT INHIBITORS; RAMAN-SPECTRA; IN-VITRO; 5-CHLOROURACIL; 5-FLUOROURACIL; MICHAEL; DESIGN; FTIR;
D O I：
10.1007/s10870-014-0554-y
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
Three uracil derivatives of methyl 3-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl) propanoate (I), methyl 3-(5-nitro- 2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl) propanoate (II) and ethyl 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1 (2H)-yl) propanoate (III) have been prepared through one pot synthesis and examined by X-ray crystallography, FT-IR and NMR spectroscopy. Compound I, C8H10N2O4, is monoclinic with space group P 21/c and cell constants a = 11.4437(12), b = 11.7980(13), c = 6.9496(7) angstrom, beta = 103.180(2)degrees, V = 913.57(17) angstrom(3), and Z = 4. Compound II, C8H9N3O6, crystallizes in the monoclinic P 21 space group with cell constants a = 8.0342(14), b = 5.7155(10), c = 11.572(2) angstrom, beta = 105.200(3)degrees, V = 512.79(16) angstrom(3), and Z = 2. Compound III, C9H11N3O6, is Orthorhombic with space group P 212121 and cell constants a = 5.7560(16), b = 8.032(2), c = 25.302(7) angstrom, beta = 90 degrees, V = 1169.8(6) angstrom(3), and Z = 4. The supramolecular architectures of the three compounds involve N-H center dot center dot center dot O hydrogen bond.
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页码：597 / 603
页数：7
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