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有机化学
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有机化学 ›› 2003, Vol. 23 ›› Issue (6): 574-577. 上一篇    下一篇

研究论文

1,5-苯并硫氮杂卓-α,α-二甲基β-内酰胺衍生物的合成、表征及晶体结构

张萍;刘磊;李媛;董玉环   

  1. 河北师范大学化学学院;唐山师范大学学院化学学院
  • 发布日期:2003-06-25

Synthesis and Crystal Structure of a, a-Dimethyl-/Mactam Derivatives of 1,5-Benzothiazepines

Zhang Ping;Liu Lei;Li Yuan;Dong Yuhuan   

  1. Department of Chemistry,Hebei Normal University;Department of Chemistry,Tangshan Normal College
  • Published:2003-06-25

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647

被引次数

2

利用异丁酸乙酯、异丁酸异丙酯、异丁酸薄荷醇酯和LDA作用形成烯醇锂盐， 然后和1，5-苯并硫氮杂卓反应，得到了6个新的1，5-苯并硫氮杂草-α，α-二甲 基-β-内酰胺衍生物．通过元素分析、红外光谱、核磁共振氢谱和质谱对其结构进 行了表征．用X射线单晶衍射测定了la 的晶体结构．晶体为三斜晶系，pl空间群， 晶胞参数为：α=0．9299(3)nm，b=1．0134 (3)nm，c=1．2455(4)nm，α=98． 457(5)°，β=106．143(5)°，γ=103．843(5)°，V=1．0657(6)nm~3，Z=2， Dc=1．295Mg m~3，F(OOO)=440，μ=0．175mm~-1，R_1=0．0406，wR_2=0．1064．

关键词: 苯并硫代杂卓;异丁酸乙酯;异丁酸异丙酯;异丁酸薄荷醇酯;元素分析, 红外分光光度法;核磁共振谱法;晶体结构;X射线衍射分析

The a , a -dimethyl-β-lactam derivatives of 1,5-benzothiazepines were synthesized by the reaction of simple lithium ester enolates with 1,5-benzothiazepines. Their structure were characterized by elemental analysis, IR,~1H NMR and MS spectra. The crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal of la belongs to triclinic system, space group PI, unit cell dimensions: a = 0.9299(3) nm, 6 = 1.0134(3) nm, c = 1.2455(4) ran, a= 98.457(5)°, β = 106.143(5)°,γ= 103.843(5)°, V= 1.0657(6) nm~3, Z = 2, D_c = 1.295Mg/m~3, F(000)=440,μ= 0.175 mn~(-1), R_1= 0.0406, Wr_2 = 0.1064.

Key words: benzothiazepine;ethyl isobutyrate;isopropyl isobutyrat, menthyl isobutyrate;ELEMENTAL ANALYSIS;IR;1HNMR;CRYSTAL STRUCTURE;XRD

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