CHINESE JOURNAL OF ENERGETIC MATERIALS
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多硝基双吡啶的合成、表征和理论研究(英)
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作者单位:

(1. 南京理工大学化工学院, 江苏 南京 210094; 2. 中国药科大学药学院, 江苏 南京 210009)

作者简介:

MA Cong-ming(1988-),male,doctor, major in synthesis and application of energetic materials. e-mail: maming1306@126.com

通讯作者:

MA Cong-ming(1988-),male,doctor, major in synthesis and application of energetic materials. e-mail: maming1306@126.com Corresponding Author: YAO Qi-zheng(1951-),male,professor,major in synthesis and application of energetic materials and nitrogen heterocyclic drugs. e-mail: qz_yao@163.com

基金项目:

National Natural Science Foundation of China (21102125) Biography: MA Cong-ming(1988-),male,doctor, major in synthesis and application of energetic materials. e-mail: maming1306@126.com


Synthesis, Characterization and Theoretical Studies of Polynitro-bispyridines
Author:
Affiliation:

(1. School of Chemical Engineering, Nanjing University of Science & Technology, Nanjing 210094, China; 2. School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China)

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    摘要:

    以2-氨基-6-氯-3, 5-二硝基吡啶为原料,经C—N偶联反应和叠氮化取代反应,设计/合成了一种新化合物N-(6-叠氮基-3, 5-二硝基吡啶-2-基)-2, 6-二氨基-3, 5-二硝基吡啶,总产率为69%。用1H NMR、13C NMR、质谱和元素分析鉴定了其结构,在DFT-B3LYP/6-31G**水平下预估该化合物的的爆速为7.89 km·s-1,爆压为28.37 GPa。表明,该化合物比2, 4, 6-三硝基甲苯(TNT)有更好的爆轰性能。

    Abstract:

    A new compound N-(6-azido-3, 5-dinitropyridin-2-yl)-2, 6-diamine-3, 5-dinitropyridine(3) was designed and synthesized via C—N cross-coupling reaction and azide substitution reaction, using 2-amine-6-chloro-3, 5-dinitropyridine as a primary material with a total yield of 69%.Its structure was confirmed by 1H NMR, 13C NMR, MS and elemental analysis. Theoretical calculations at DFT-B3LYP/6-31G** level were performed. Results show that the detonation performance of compound 3 are detonation velocity D=7.89 km·s-1 and detonation pressure p=28.37 GPa, revealing that its detonation performance is better than that of 2, 4, 6-trinitrotoluene (TNT).

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引用本文

马丛明,赵坤,刘祖亮,等.多硝基双吡啶的合成、表征和理论研究(英)[J].含能材料, 2015, 23(5):504-506. DOI:10.11943/j. issn.1006-9941.2015.05.018.
MA Cong-ming, ZHAO Kun, LIU Zu-liang, et al. Synthesis, Characterization and Theoretical Studies of Polynitro-bispyridines[J]. Chinese Journal of Energetic Materials, 2015, 23(5):504-506. DOI:10.11943/j. issn.1006-9941.2015.05.018.

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历史
  • 收稿日期: 2014-07-30
  • 最后修改日期: 2014-09-21
  • 录用日期: 2014-10-13
  • 在线发布日期: 2015-04-16
  • 出版日期: 2015-04-10