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以5-氨基四唑为原料,经甲基化和硝化反应制得1-甲基-5-硝亚氨基四唑,然后与氨基胍碳酸氢盐反应得到1-甲基-5-硝亚氨基四唑氨基胍盐。考察了反应温度、时间、物料摩尔比、碱用量和溶剂用量对甲基化反应的影响,优化后产率达44%;还考察了硝化剂用量、反应温度、时间对1-甲基-5-硝亚氨基四唑合成的影响,优化后最高产率为81%。并通过1HNMR、IR、MS等手段对产物进行了表征。 相似文献
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以2-偕二硝甲基-5-硝基四唑钾盐(KDNMNT)为原料,在硫酸-水介质中经KDNMNT与乌洛托品(HMTA)的缩合反应制备出双[2-(5-硝基-2 H-四唑基)-2,2-二硝乙基]胺(BNTDNEA),BNTDNEA在H2NO3介质中经硝化反应制备出双[2-(5-硝基-2 H-四唑基)-2,2-二硝乙基]硝胺(NTEA),总收率为30.20%。用红外光谱、核磁和元素分析对BNTDNEA和NTEA的结构进行了表征。用量子化学方法对NTEA的密度(ρ)、生成焓[ΔfHm(s)]、爆速(D)和爆压(p)进行了理论计算。结果表明,合成BNTDNEA的最佳反应条件为:n(KDNMNT)∶n(HMTA)=2.5∶1.0,反应温度40℃;合成NTEA的最佳条件为:硝化体系为98%的硝酸,硝化反应温度为5℃。NTEA的ρ、ΔfHm、D和p值分别为1.97g/cm3、416.02kJ/mol、9.336km/s和41.53GPa,其能量水平与CL-20相当。 相似文献
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由3-羟基丙腈与叠氮化铵采用超声波辐射技术经1,3-偶极环化加成获得母体化合物5-羟乙基四唑;母体化合物与硫酸二甲酯经取代反应得到中间体甲基-5-羟乙基四唑,然后甲基-5-羟乙基四唑再与氯化亚砜经卤代反应得到中间体2-甲基-5-氯乙基四唑,收率为68%;2-甲基-5-氯乙基四唑在碱性条件下经消除反应生成2-甲基-5-乙烯基四唑,收率为75%。采用红外光谱、核磁共振、元素分析等对2-甲基-5-氯乙基四唑、2-甲基-5-乙烯基四唑进行了结构表征。该法具有反应收率较高且稳定、易操作等优点。 相似文献
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The Arrhenius‐type reaction rate parameters for the initiation reactions governing the thermal decomposition of several energetic ionic liquids (EILs) were determined by numerical techniques. The compounds chosen for this purpose were the energetic 4‐amino‐1,2,4‐triazolium nitrate (4ATN) and 1‐hydroxyethyl‐hydrazinium nitrate (HEHN). The supplementary compounds studied for comparison were 4‐amino‐1,2,4‐triazolium chloride (4ATCl) and ammonium nitrate (AN). The reaction rate parameters were obtained by an evolutionary genetic algorithm (GA) that compared the difference between the experimental and simulated species evolution profiles from the decomposition process. The experimental data were generated by confined rapid thermolysis (CRT). The decomposition process was simulated by applying conservation equations to the condensed and gas phases individually. The optimization module recovered the experimental species profiles with reasonable accuracy for all the compounds studied. The processes governing the decomposition of these energetic compounds were found to be autocatalytic in nature, and the autocatalytic agents were the strong acids generated by the initial decomposition step. The activation energy and pre‐exponential factor for the unimolecular decomposition step for 4ATN, HEHN, and 4ATCl were 167–188 kJ mol−1 and 1016 s−1, respectively, similar to previously determined values for AN. 相似文献
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6-Acyl(benzoyl)-1,1-dioxo-1,2-thiazines 2 were synthesized by Friedel-Crafts acylation of the 3,5-dimethyl-1,1-dioxo-1,2-thiazines 1 and 3 using carboxylic anhydrides. The ketones 2 and 4 were transformed to substituted pyridinium-3-sulfonamidates 5–7 and 9 with nitrogen nucleophiles like alkylamines and hydrazine. A pyrido-pyridazinium-sulfonamidate 8 was formed from 2e with hydrazinium hydroxide. The 6-benzoyl-1,1-dioxo-1,2-thiazine 2c does not show the described ring transformation. The results demonstrate scope and limitations of the ring transformation reaction of 1,1-dioxo-1,2-thiazine-6-carbonyl compounds 相似文献
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以芳醛与N-甲基-4-哌啶酮通过Claisen-Schmidt缩合得到两个不对称的N-甲基-4-哌啶酮化合物,并通过NMR、FT-IR、元素分析等进行结构表征。采用MTT法,评价了两种化合物对Hela(宫颈癌细胞)、HeP G2(肝癌细胞)、THP-1(人单核巨噬细胞)、SGC-7901(胃癌细胞)的抑制活性以及对LO_2(正常肝细胞)的细胞毒性。结果显示,3-(4-吡啶亚甲基)-5-(3-硝基苯亚甲基)-N-甲基-4-哌啶酮显示较好的抑制活性,特别是对THP-1的IC50=0.58μmol/L,而3-(2-噻吩亚甲基)-5-(3-硝基苯亚甲基)-N-甲基-4-哌啶酮的抑制活性稍差,但对正常细胞LO_2毒性较小。 相似文献
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以4,5-二氰基-1,2,3-三唑为原料,经过重氮化偶联反应和[2+3]偶氮环加成反应合成了4,5-二(1H-5-四唑基)-1,2,3-三唑,并经过复分解反应合成了7种高氮含能盐。采用IR、~1 H NMR、~(13) C NMR对化合物的结构进行了表征;采用DSC法研究了它们的热行为;基于B3LYP/6-311G**方法计算了各化合物的理论密度、标准生成焓,并通过EXPLO5预估了各化合物的爆速和爆压。结果表明,8种化合物均具有较好的热稳定性;生成焓为647.4~1 579.4kJ/mol;爆速为7 652~8 389m/s;爆压除化合物2外均高于20GPa;除化合物1、7、8外,其他化合物标准状况下的气体产生量均大于800L/kg,是潜在的气体发生剂。 相似文献
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高能氧化剂硝仿肼研究最新进展 总被引:4,自引:1,他引:3
介绍了近年来国内外高能氧化剂硝仿肼的最新研究情况。硝仿肼作为下一代新型含能材料代表之一,国内外很多研究机构和单位都已对其合成和应用进行了研究,并取得了较大突破。 相似文献
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3种2-甲基-2-烷基-1,3-二硫杂环戊烷类化合物的合成 总被引:1,自引:0,他引:1
以对甲苯磺酸为催化剂, 3种酮类化合物和二硫代乙二醇在苯中共沸脱水,合成了 2 -甲基- 2 -乙基- 1, 3 -二硫杂环戊烷、2- 甲基- 2- 异丁基- 1, 3- 二硫杂环戊烷和 -2 -甲基- 2 -异戊基 1, 3 二硫杂环戊烷,产率分别为 71. 5%、74. 3%和 75. 6%,质量分数分别为 98 .8%、99. 1%和 98. 9%。经红外光谱分析、元素分析、核磁共振分析和色 -质联机分析确定了 3种产物的结构。 相似文献
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Thomas M. Klaptke Andreas Preimesser Jrg Stierstorfer 《Propellants, Explosives, Pyrotechnics》2015,40(1):60-66
2‐Nitrimino‐5,6‐dinitrobenzimidazole ( 1 ) was synthesized by nitration of 2‐aminobenzimidazole at ambient temperature in good yield. In order to explore new insensitive explosives four energetic nitrogen‐rich 1 : 1 salts such as the guanidinium ( 1a ), aminoguanidinium ( 1b ), triaminoguanidinium ( 1c ) and hydroxylammonium ( 1d ) were synthesized either by facile acid/base or in situ metathesis reaction. In addition 2‐nitrobenzimidazole ( 2 ) was synthesized by the reaction of 2‐aminobenzimidazole using potassium hyperoxide in THF. Different nitration methods were tested to obtain a theoretically 2,4,5,6,7‐pentanitrobenzimidazole but only the already known 4,5,6,7‐tetranitrobenzimidazol‐2‐one ( 3 ) could be isolated. All synthesized compounds were characterized especially by low temperature X‐ray diffraction, CHN elemental analysis and 1H and 13C NMR spectroscopy. The heat of formation of all new synthesized compounds was calculated using CBS‐4M electronic enthalpies in combination with the atomization method to calculate their detonation parameters with the EXPLO 5 V5.05 computer code. 相似文献
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以三聚氯氰为前驱体,通过亲核取代反应,得到硝基芳环均三嗪中间体;再将中间体与NaN3反应,得到4种新型叠氮-均三嗪类含能化合物:4,6-二叠氮基-N-(2-硝基苯基)-1,3,5-三嗪-2-胺基、4,6-二叠氮基-N-(3-硝基苯基)-1,3,5-三嗪-2-胺基、4,6-二叠氮基-N-(4-硝基苯基)-1,3,5-三嗪-2-胺基、2,4-二叠氮基-6-(2-(2,4-二硝基苯基)肼基)-1,3,5-三嗪;采用IR、1 H NMR、13 C NMR、MS等对4种化合物的结构进行了表征;采用TG-DSC研究了4种化合物的热力学性能;通过B3LYP/6-311G**方法预估了化合物的理论密度、标准生成焓、爆速和爆压。结果表明,4种化合物具有较好的热稳定性,叠氮基的引入使其具有较高的正生成焓。综合4种叠氮-均三嗪类含能化合物的性能,化合物2,4-二叠氮基-6-(2-(2,4-二硝基苯基)肼基)-1,3,5-三嗪的性能较佳。 相似文献
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以还原型辅酶Q0(氢醌,Ⅳ)为母环,杂多酸为催化剂,与末端羟基取代的异戊二烯单元—(E)-1-苯磺酰基-2-甲基-4-羟基-2-丁烯(Ⅲ)进行偶联反应,溴苄酚羟基保护,制得6-(4-苯磺酰基-3-甲基-2-丁烯)-基-2,3-二甲氧基-5-甲基氢醌双苄醚(Ⅴ),收率75.0%,Ⅴ再与茄尼基溴(Ⅵ)偶联后制得接砜产物(Ⅶ),收率45.0%,Ⅶ经钠还原脱除苯磺酰基、硝酸铈铵氧化制得辅酶Q10(Ⅰ),收率30%。中间体与产物经测熔点、1HNMR和FTIR分析鉴定和确证结构。 相似文献