摘要
When N-cyanoimido-(O,O-diethyl)phosphonyl/S-methyl thiocarbonate (1) was treated with o-phenylenediamine in the presence of Et3N in ethanol, diethyl benzimidazole-2-yl phosphonate (2) was obtained and hydrolyzed during the recrystallization in MeOH/H2O, generating ethyl benzimidazole-2-yl phosphonate (3). The crystal structure of compound 3 was determined by X-ray diffraction method. The crystals belong to monoclinic, space group C2/c, a = 1.78406(18), b = 0. 83725(9), c= 1.67401(18) nm, β= 118.997(2)°, V = 2. 1870(4) nm3Z = 8, Dc = 1.374 g/cm3, F(000) = 944. The final R and wR are 0.0499 and 0.1436, respectively. The mechanism of the above reaction is also discussed.
When N-cyanoimido-(O,O-diethyl)phosphonyl/S-methyl thiocarbonate (1) was treated with o-phenylenediamine in the presence of Et3N in ethanol, diethyl benzimidazole-2-yl phosphonate (2) was obtained and hydrolyzed during the recrystallization in MeOH/H2O, generating ethyl benzimidazole-2-yl phosphonate (3). The crystal structure of compound 3 was determined by X-ray diffraction method. The crystals belong to monoclinic, space group C2/c, a = 1.78406(18), b = 0. 83725(9), c= 1.67401(18) nm, β= 118.997(2)°, V = 2. 1870(4) nm3Z = 8, Dc = 1.374 g/cm3, F(000) = 944. The final R and wR are 0.0499 and 0.1436, respectively. The mechanism of the above reaction is also discussed.
基金
Project (No. 29772020) supported by the National Natural Science Foundation of China
