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Synthesis and crystal structure of ethyl benzimidazole-2-yl phosphonate
  • ISSN号:1001-604X
  • 期刊名称:《中国化学:英文版》
  • 时间:0
  • 分类:O627.51[理学—有机化学;理学—化学]
  • 作者机构:State Key Laboratory of Elemento-Organic Chemistry, Institute of Ekmento-Organic Chemistry, Nankai University, Tianjin 300071, China, China
  • 相关基金:Project (No. 29772020) supported by the National Natural Science Foundation of China
中文摘要:

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 phos-phonate (2) was obtained and hydrolyzed during the recrys-tallization in MeOH/H2O,generating ethyl benzimidazole-2-yl phosphonate (3).Hie crystal structure of compound 3 was determined by X-ray diffraction method.The crystals belong to monoclinic,space group C2/c,a = 1.78408(18) ,6 = 0.83725(9),c= 1.67401(18) nm,β= 118.997(2),V = 2.1870(4) nm3,Z = 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.

英文摘要:

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.

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期刊信息
  • 《中国化学:英文版》
  • 主管单位:
  • 主办单位:中国化学会
  • 主编:
  • 地址:上海市枫林路354号中科院上海有机化学研究所
  • 邮编:200032
  • 邮箱:
  • 电话:021-54925243
  • 国际标准刊号:ISSN:1001-604X
  • 国内统一刊号:ISSN:31-1547/O6
  • 邮发代号:4-646
  • 获奖情况:
  • 中国期刊方阵“双高”期刊
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  • 被引量:175