2-噻吩甲酸(5-氟尿嘧啶-1-基)甲酯的合成、晶体结构和热性质

Synthesis,Crystal-structure and Thermal Properties of (5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl) Methyl Thiophene-2-carboxylate

报道了一种新的5-氟尿嘧啶衍生物2-噻吩甲酸(5-氟尿嘧啶-1-基)甲酯的合成.用1HNMR、13CNMR、IR对其进行了结构表征,通过单晶X射线衍射确定了晶体结构,同时分析了热性质.晶体属单斜晶系,空间群为P2/c,晶胞参数为:a=9.6134(14),b=4.8381(7),c=24.534(4),α=90°,β=97.289(3)°,γ=90°;Z=4,F(000)=552,R1=0.0616.

A new 5-fluorouracil derivative, （5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1（2H）-yl） methyl thiophene- 2-carboxylate, has been synthesized. Its structure has been characterized by means of ^1H NMR, ^13C NMR, IR. Single crystal was diffracted with X-ray to ascertain the crystal structure of the compound. And the thermal feature of the compound was analyzed. Crystal data are shown as following： monoclinic, space group P2/c, a = 9.613 4（14） A, b = 4.838 1（7） A, c = 24.534（4） A, α = 90°, β = 97.289（3）°, γ = 90°, Z = 4, F（000） = 552, R1 = 0.061 6.