Synthesis and Crystal Structure of 4-（4,6-dimethoxyl -pyrimidin-2-yl）-3-thiourea Carboxylic Acid Methyl Ester

1 INTRODUCTION Pyrimidinyl thioureas have been studied for many years because of their broad antibiosis and sterilibza- tion properties. Recent years’ study shows that pyri- midinyl thioureas not only can be used to kill insects and adjust plant growth, but also have anti-viral ac- tivities[1, 2]. From our early quantum study on these compounds, we find that they have several active cen- ters and can form polyligand complexes with metals easily[3]. These complexes are widely used as ant…

Synthesis and Crystal Structure of 4-(4,6-dimethoxyl -pyrimidin-2-yl)-3-thiourea Carboxylic Acid Methyl Ester

The title compound 4-(4,6-dimethoxylpyrimidin-2-yl)-3-thiourea carboxylic acid methyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single crystals suitable for X-ray measurement were obtained by recrystallization with the solvent of dimethyl formamide at the room temperature. The structure was characterized by elemental analysis and IR and determined by X-ray diffraction analysis. Crystallographic data: C9H12N4O4S, Mr = 272.29, monoclinic, space group C2/m with a = 1.6672(3), b = 0.66383(12), c = 1.1617(2) nm, β = 109.275(2)°, V = 1.2136(4) nm3, Dc = 1.490 g/cm3, μ = 0.281 mm-1, F(000) = 568, Z = 4, R1 = 0.0341and wR2 = 0.1042.