| 微波辐射下2-苄基苯并咪唑的合成和晶体结构 |
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| 引用本文： | 吕维忠,刘波,罗仲宽,张雪利,高原.微波辐射下2-苄基苯并咪唑的合成和晶体结构[J].精细化工,2008,25(2):121-124. |
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| 作者姓名： | 吕维忠 刘波 罗仲宽 张雪利 高原 |
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| 作者单位： | 深圳大学,化学化工学院,广东,深圳,518060;深圳大学,化学化工学院,广东,深圳,518060;深圳大学,化学化工学院,广东,深圳,518060;深圳大学,化学化工学院,广东,深圳,518060;深圳大学,化学化工学院,广东,深圳,518060 |
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| 摘 要： | 标题化合物C14H12N2在无溶剂条件下,用微波辐射法以盐酸作催化剂、邻苯二胺和苯乙酸为原料合成得到。最优化的合成条件是:n(邻苯二胺)∶n(苯乙酸)=1∶1.2(即邻苯二胺1.08 g,苯乙酸1.63 g),盐酸用量2mL,辐射时间8 min,微波功率480 W。用IR、1HNMR对产物进行了表征,并用单晶X射线衍射法测定了其单晶结构,标题化合物晶体属正交晶系,空间群Pbca,Mr=208.26,a=9.384 2(13)nm,b=9.723 4(13)nm,c=2.493 7(3)nm,V=2.275 4(5)nm3,Z=8,Dc=1.216 g/cm3,F(000)=880,μ=0.073 mm-1,GOF=1.001,R1=0.042 6,wR2=0.097 6〔Ⅰ>2σ(Ⅰ)〕。
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| 关 键 词： | 苯并咪唑 邻苯二胺 晶体结构 微波辐射 功能材料 |
| 文章编号： | 1003-5214（2008）02-0121-04 |
| 收稿时间： | 2007-09-05 |
| 修稿时间： | 2007-10-11 |
Synthesis and Crystal Structure of 2-Phenylbenzimidazole under Microwave Irradiation |
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| L Wei-zhong,LIU Bo,LUO Zhong-kuan,ZHANG Xue-li,GAO Yuan.Synthesis and Crystal Structure of 2-Phenylbenzimidazole under Microwave Irradiation[J].Fine Chemicals,2008,25(2):121-124. |
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| Authors: | L Wei-zhong LIU Bo LUO Zhong-kuan ZHANG Xue-li GAO Yuan |
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| Affiliation: | L(U) Wei-zhong,LIU Bo,LUO Zhong-kuan,ZHANG Xue-li,GAO Yuan |
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| Abstract: | 2-Phenylbenzimidazole(Ⅰ) was synthesized by solvent-free reaction of o-phenylenediamine(Ⅱ) and phenylacetic acid(Ⅲ) accelerated by microwave irradiation and catalyzed by HCl.The optimal reaction conditions were:n(Ⅱ)∶n(Ⅲ)=1∶1.2(Ⅱ1.08 g,Ⅲ1.63 g),HCl 2 mL,time of microwave irradiation 8 min and microwave power 460 W.The product was characterized by IR and 1HNMR spectra,and its crystal structure was determined by X-ray single crystal diffraction.Ⅰ belongs to orthorhombic system with space group Pbca,Mr=208.26,a=9.384 2(13) nm,b=9.723 4(13) nm,c=2.493 7(3) nm,V=2.275 4(5) nm3,Z=8,Dc=1.216 g/cm3,F(000)=880,μ=0.073 mm-1,GOF=1.001,R1=0.042 6,wR2=0.097 6(Ⅰ>2σ(Ⅰ)). |
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| Keywords: | benzimidazole o-phenylenediamine crystal structure microwave irradiation functional materials |
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