Synthesis, Crystal Structure and Herbicidal Activity of N-(7-Chloro-5-ethoxy-2H-[1,2,4]thiadiazolo[2,3-a] pyrimidin-2-ylidene)-2-(2,4-dichlorophenoxy)propanamide  

作　　者：刘国华 薛允宁 姚美 方海斌 余焓 

机构地区：[1]Department of Chemistry, College of Life and Environmental Science, Shanghai Normal University

出　　处：《Chinese Journal of Structural Chemistry》2007年第4期450-456,共7页结构化学（英文）

基　　金：Supported by Shanghai Municipal Education Commission (No. 05D215);Shanghai Sciences and Technologies Development Fund (No. 05JC14074) ;National Natural Science Foundation of China (No. 20673072)

摘　　要：The title compound N-（7-chloro-5-ethoxy-2H-[1,2,4]thiadiazolo[2,3-a]pyrimidin- 2-ylidene）- 2-（2,4-dichlorophenoxy）propanamide 3 has been synthesized through using bromine as cyclic reagent in 63% isolated yield. Suitable single crystals for X-ray diffraction were obtained by recrystallization from the mixture solvents at room temperature. Crystallographic data of 3： C 16H13C13O3S, Mr = 447.71, triclinic, space group P1, a = 8.7461（8）, b = 9.9560（10）, c = 11.8572（11） A, a = 94.341（2）, β = 94.683（2）, γ = 112.929（2）°, Z = 2, V= 941.21（15） A^3, Dc = 1.580 g/cm^3, F（000） = 456, R = 0.0794, wR = 0.2056 andμ（MoKa） = 0.623 mm^-1. The title compound 3 was found to be effective in herbicidal activity.The title compound N-（7-chloro-5-ethoxy-2H-[1,2,4]thiadiazolo[2,3-a]pyrimidin- 2-ylidene）- 2-（2,4-dichlorophenoxy）propanamide 3 has been synthesized through using bromine as cyclic reagent in 63% isolated yield. Suitable single crystals for X-ray diffraction were obtained by recrystallization from the mixture solvents at room temperature. Crystallographic data of 3： C 16H13C13O3S, Mr = 447.71, triclinic, space group P1, a = 8.7461（8）, b = 9.9560（10）, c = 11.8572（11） A, a = 94.341（2）, β = 94.683（2）, γ = 112.929（2）°, Z = 2, V= 941.21（15） A^3, Dc = 1.580 g/cm^3, F（000） = 456, R = 0.0794, wR = 0.2056 andμ（MoKa） = 0.623 mm^-1. The title compound 3 was found to be effective in herbicidal activity.

关 键 词：crystal structure herbicidal activity 2H-1 2 4-thiadiazolo[2 3-alpyrimidine 

分 类 号：O621.25[理学—有机化学]