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| Synthesis and Crystal Structure of 4-Methylamino-6-trifluoromethyl-2-(methylsulfonyl)pyrimidine |
| HUANG Tong-hui1,2, SUN Jie1, WANG Qian-qian1, ZHANG Li-xian1, TU Hai-yang2 |
| 1. School of Pharmacy, Xuzhou Medical College, Xuzhou 221004, China; 2. College of Chemistry, Central China Normal University, Wuhan 430079, China |
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Abstract The inetermediate, 4-methylamino-6-trifluoromethyl-2-(methylthio)pyrimidine（3）, was prepared by cyclization, chlorination and nucleophilic substitution reaction， using ethyl trifluoroacetate and thiourea as starting materials. The novel compound, 4-methylamino-6-trifluoromethyl-2-(methylsulfonyl)pyrimidine（4）， was synthesized by oxidation of 3 using m-CPBA as the oxidant. The structure was characterized by 1H NMR, MS, elemental analysis and X-ray single crystal diffraction. 4 (CCDC: 973 037) belongs to monoclinic system, P2(1)/c，晶胞参数a=5.068 7(4) , b=15.296 8(11) , c=13.833 9(10) , β=13.833 9(10)°， V=1 065.81(14) 3, Z=4, Dc＝1.591 g·cm-3, μ=0.336 mm-1, F(000)=520， R1=0.051 1, wR2=0.135 3。
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Received: 24 March 2015
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2015, Vol. 23 
