微波辅助新型含1,2,3-三唑基的α-氨基膦酸酯类化合物的合成及其晶体结构（英文）  

Microwave-assisted syntheses and crystal structures of newα-aminophosphonates containing 1,2,3-triazole moiety

作　　者：王俊岭[1] 冯书晓[1] 汪小伟[1] 谷广娜 马军营[1] WANG Jun-ling;FENG Shu-xiao;WANG Xiao-wei;GU Guang-na;MA Jun-ying(Chemical Engineering and Pharmaceutics College,Henan University of Science and Technology,Luoyang 471003,China)

机构地区：[1]河南科技大学化工与制药学院,河南洛阳471023

出　　处：《化学研究与应用》2018年第9期1475-1480,共6页Chemical Research and Application

基　　金：河南科技大学博士科研启动基金资助(4008/13480055)

摘　　要：在微波辐射、无溶剂、无催化条件下,合成了两个新型含1,2,3-三唑基的α-氨基膦酸酯类化合物,结构经IR、NMR、X-射线晶体衍射进行了确证。O,O'-二异丙基-α-苯氨基-α-(2-苯基-1,2,3-三唑-4-基)-甲基膦酸酯(4a)晶体属三斜系,P-1空间群,晶胞参数为a=0. 94630(5) nm,b=1. 16572(6) nm,c=1. 17733(8) nm,α=109. 902(5)°,β=105. 410(5)°,γ=96. 748(5)°,V=1. 14586(12) nm^3,Z=2,C_(21)H_(27)N_4O_3P,Mr=414. 43,Dc=1. 201g·cm^3,F(000)=440,μ(Cu Kα)=1. 54184 mm^(-1)。O,O'-二异丙基-α-(4-氯苯基)氨基-α-(2-苯基-1,2,3-三唑-4-基)-甲基膦酸酯(4b)晶体属单斜系,P21/n空间群,晶胞参数为a=1. 11854(17) nm,b=2. 22135(3)nm,c=1. 90049(3) nm,β=91. 7350(15)°,V=4. 71995(12) nm^3,Z=8,C_(21)H_(26)ClN_4O_3P,Mr=448. 88,Dc=1. 263g·cm^3,F(000)=1888. 0,μ(Cu Kα)=1. 54184 mm^(-1)。Two newα-aminophosphonates containing 1,2,3-triazole moietiey(4a,4b)were designed and synthesized under microwave irradiation without solvents and catalysts.Their structures were verified by IR,NMR and single crystalX-ray diffraction.O,O′-Diisopropyl-α-phenylamino-α-(2-phenyl-1,2,3-triazol-4-yl)methylphosphonate(4a)belongs to triclinic,space group P-1 with a=0.94630(5)nm,b=1.16572(6)nm,c=1.17733(8)nm,α=109.902(5)°,β=105.410(5)°,γ=96.748(5)°,V=1.14586(12)nm 3,Z=2,C 21 H 27 N 4O 3P,M r=414.43,D c=1.201g·cm^3,F(000)=440 andμ(CuKα)=1.54184 mm^-1.The crystal of O,O′-Diisopropyl-α-(4-chloro-phenyl)amino-α-(2-phenyl-1,2,3-triazol-4-yl)methyl phosphonate(4b)is of monoclinic,space group P2 1/n with a=1.11854(17)nm,b=2.22135(3)nm,c=1.90049(3)nm,β=91.7350(15)°,V=4.71995(12)nm^3,Z=8,C 21 H 26 ClN 4O 3P,M r=448.88,D c=1.263g·cm^3,F(000)=1888.0 andμ(CuKα)=1.54184 mm^-1.

关 键 词：1 2 3-三唑 氨基膦酸酯 合成 晶体结构 

分 类 号：O626[理学—有机化学]