共查询到20条相似文献,搜索用时 140 毫秒
1.
以1-(2-甲基丙基)-4-氯-1H-咪唑并[4,5-c]喹啉(Ⅰ)为原料与哌啶反应合成了1-(2-甲基丙基)-4-[哌啶-1-基]-1H-咪唑并[4,5-c]喹啉(Ⅱ),当用甲苯为溶剂,n(Ⅰ)∶n(哌啶)∶n(K2CO3)=1∶2∶0.3时,Ⅱ的收率为88.5%;Ⅰ与三倍过量的吗啉反应合成1-(2-甲基丙基)-4-[吗啉-4-基]-1H-咪唑并[4,5-c]喹啉(Ⅲ),收率86.5%;Ⅰ与三倍过量的哌嗪在体积分数50%的1,4-二氧六环水溶液中反应合成1-(2-甲基丙基)-4-[哌嗪-1-基]-1H-咪唑并[4,5-c]喹啉(Ⅳ),收率59%。Ⅱ、Ⅲ、Ⅳ的合成工艺均较简单。 相似文献
2.
本文研究了2-苯基-1H-咪唑并[4,5-b]吩嗪(PND)分子的自组装行为和晶体结构预测,提出了一种用于晶体结构预测的分子自组装晶体系统的组合密度泛函理论/分子动力学(DFT/MD)方法。通过量子化学计算得到活性位点,以COMPASS力场,对吩嗪模型进MD模拟,分析其前线轨道能量,自组装过程的演化和氢键的特征参数。根据上述模拟,进行PND晶体形态的预测,预测结果和实验结果一致。 相似文献
3.
4.
β-咔啉类生物碱具有广泛的生物活性,包括抗疟活性、抗菌活性以及抗肿瘤活性等。以L-色氨酸为原料,经Pictet-Spengler环化反应、氧化脱羧、N9-烷基化等反应步骤合成一系列β-咔啉杂合咪唑类化合物。目标化合物经1HNMR、13C NMR和HRMS确证结构。采用MTT(噻唑蓝)法检测了目标化合物对肺癌细胞(A549),胃癌细胞(BGC-823),结肠癌细胞(CT-26),肝癌细胞(Bel-7402)和乳腺癌细胞(MCF-7)的体外抗肿瘤活性,结果表明大部分化合物对这五种肿瘤细胞株表现出了中等及优良的抑制活性。特别是化合物3-苄基-11-(3-苯基丙基)-11H-咪唑并[1",5":1,2]吡啶并[3,4-b]吲哚(Ⅴr),对CT-26,Bel-7402和MCF-7 细胞株的抑制活性均小于10 μmol/L。此外,分子对接结果表明化合物3-苄基-11-甲基-11H-咪唑并[1",5":1,2]吡啶并[3,4-b]吲哚(Ⅴa),3-苄基-11-丁基-11H-咪唑并[1",5":1,2]吡啶并[3,4-b]吲哚(Ⅴf)和3-苄基-11-(3-苯基丙基)-11H-咪唑并[1",5":1,2]吡啶并[3,4-b]吲哚(Ⅴr)与VEGFR2的多个氨基酸残基具有良好的结合作用。 相似文献
5.
以1,10-邻菲啰啉,苯甲醛衍生物和醋酸氨为原料,经氧化和缩合反应合成得到了两种新的标题化合物:2-(4-甲基苯基)-1H-咪唑[4,5-f][1,10]邻菲啰啉、2-(4-叔丁基苯基)-1H-咪唑[4,5-f][1,10]邻菲啰啉。采用1HNMR、13CNMR、ESI-MS对结构进行了表征。由于两种1H-咪唑化合物能形成N—H…N分子间的氢键,因而在ESI-MS图上出现很强的二聚体离子峰[2M]+;而空间位阻效应小的4-甲基-1H-咪唑出现三聚体离子峰[3M]+。 相似文献
6.
《火炸药学报》2015,(6)
采用Guassian03程序,在DFT-B3LYP/6-31G**水平下得到吡啶并环脲硝基衍生物的分子几何构型、电子结构、理论密度和生成热,采用Kamlet-Jacobs方程计算了爆速和爆压值。结果表明,化合物1,3,5,7-四硝基-5,7-二氢二咪唑[4,5-b:4′,5′-e]吡啶-2,6(1H,3H)-二酮和8-氨基-1,3,5,7-四硝基-5,7-二氢二咪唑[4,5-b:4′,5′-e]吡啶-2,6(1H,3H)-二酮具有良好的爆轰性能,但化合物1,3,5,7-四硝基-2,6-二氧杂-1,2,3,5,6,7-六氢二咪唑[4,5-b:4′,5′-e]吡啶-4-氧化物、1,3,5,7,8-五硝基-2,6-二氧杂-1,2,3,5,6,7-六氢二咪唑[4,5-b:4′,5′-e]吡啶-4-氧化物(8)和8-氨基-1,3,5,7-四硝基-2,6-二氧杂-1,2,3,5,6,7-六氢二咪唑[4,5-b:4′,5′-e]吡啶-4-氧化物的结构不稳定。分子的对称性、空间位阻和氢键是影响分子稳定性的3个主要因素。 相似文献
7.
8.
9.
本文设计并经由分子内碳-碳偶联反应合成了一系列基于芳并吡喃供电子功能片段的有机功能小分子,包括萘并[2,1-b:6,5-b']二苯并吡喃4a,萘并[2,1-b:6,5-b']二萘并吡喃4b,萘并[2,1-b:6,5-b']二[2-(5-己基噻吩基)]苯并吡喃4c。通过紫外光谱和荧光光谱研究表明,这类化合物在370~400 nm波长范围内具有最大紫外吸收,在417~462 nm波长范围内具有最大荧光发射。说明随着共轭平面的增大或共轭链长度的增加,化合物的吸收和荧光光谱均发生显著的红移,是一类具有丰富光电活性的有机功能分子。 相似文献
10.
《国内外香化信息》2014,(8)
正1、4,8-DiMeIQx和PhIP在食品用热加工香味料中含量的测定上海应用技术学院崔俭杰等人在《化学世界》杂志2010,51(2),86、87~90页上用中文发表的文章报道作者用高效液相色谱法(HPLC)分析测定食品用热加工香味料中有害成分2-氨基-1-甲基-6-苯基咪唑并[4,5-b]吡啶(简称PhIP)和2-氨基-3,4,8-三甲基-3H-咪唑并[4,5-f]喹喔啉(简称4,8-DiMeIQx)。其分析过程是:食品用热加工香味料样品用强酸水解,水解液碱化后用二氯甲烷萃取,然后用弱酸来提纯。以乙腈和pH为3.44的乙酸-乙酸铵缓冲剂作为流动相,在264nm处检出4,8-DiMeIQx,在 相似文献
11.
Mohamed I. Ali M. Amine Abou-State A. Fouad Ibrahim 《Advanced Synthesis \u0026amp; Catalysis》1974,316(1):147-153
2-Methyl-5,6-diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-3-one 5 and 6,7-diphenyl-2,3-dihydro-4H-imidazo[2,1-b]1,3-thiazin-4-one 6 are prepared from 4,5-diphenyl-2-mercapto-imidazole 1 . Compounds 5 and 6 react with amines or hydrazines to give the 2-(4,5-diphenyl-imidazol-2-ylthio)acet(or propan) amides (hydrazides) 7a – g and the 3-(4,5-diphenyl-imidazol-2 ylthio) propanamides(hydrazides) 8a – e , respectively. The hydrazides 7a, 7b and 8a are condensed with aromatic aldehydes to the hydrazones 9a – h and 10a – d . Compound 5 couples with aryldiazonium salts to give 2-arylazo-2-methyl-5,6-diphenyl-2,3-dihydro-imidazo[2,1-b]thiazol-3-ones 11a – d . 相似文献
12.
13.
Prakash V. Tagdiwala Dinesh W. Rangnekar 《Journal of chemical technology and biotechnology (Oxford, Oxfordshire : 1986)》1987,38(2):77-84
5-Amino-3-methyl-1-phenylpyrazole ( 1 ) has been condensed with EMME ( 2 a) and EMCA ( 2 b) and the resulting ethyl 5-aminoacrylates ( 3 a–b) cyclized to pyrazolo[3,4,-b]pyridines ( 4 a–b). 3-Methyl-1-phenylpyrazol-5-yl diazonium salt ( 7 ), prepared from ( 1 ) was coupled with tobias acid ( 8 ) and 2-methoxy-6-aminoquinoxaline ( 9 ) to get the corresponding O-aminoarylazo and heterylazo dyes ( 10 ) which were oxidatively cyclized to 2-N-(3-methyl-1-N-phenylpyrazol-5-yl)-1,2,3-triazolo[4,5-a] naphthalene and [4,5-f] quinoxaline derivative ( 11 ). The spectral properties of the compounds ( 4 a–b, 5 , 6 , 11 a–b) were studied. 相似文献
14.
15.
Li Yan Chuan-Bi Li Dong-Sheng Zhu Lin Xu 《Journal of Inorganic and Organometallic Polymers and Materials》2012,22(1):235-243
Two novel metal–organic coordination polymers {[Pb(CIPT)(1,4-BDC)]·2H2O}
n
1 and {[Zn2(IPDT)2(1,4-BDC)2(H2O)].3H2O}
n
2 [CIPT = 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, 1,4-BDC = terephthalic acid, IPDT = 4-(1H-imidazo[4,5-f][1,10]phenanthroline-2-yl)-2,6-dimethoxyphenol]
were obtained from hydrothermal reaction and characterized by elemental analysis, thermogravimetric (TG) analysis, IR and
single-crystal X-ray diffraction. Both of the two coordination polymers exhibit one-dimensional (1D) infinite chain structures
through non-covalent interactions, and the existence of hydrogen bonds interactions lead the 1D chain to 2D layer structures.
It is noteworthy that the existence of hydrogen bonds reinforces the structural stability of the complexes 1 and 2, which can be proved by TG analysis. The photoluminescent study of coordination polymer 1 shows that it exhibits fluorescent emission band at 637 nm, which is red-shifted by 46 nm relative to the free ligand CIPT. 相似文献
16.
应用圆二色光谱、紫外-可见吸收光谱、荧光光谱等实验研究在H2O溶液中钌(II)多吡啶配合物[Ru(phen)2(Hecip)](ClO4)2(phen=1,10-邻菲啰啉,Hecip=2(9-乙基-9H-咔唑-3-基)-1H-咪唑并[4,5-f][1,10]菲啰啉)与G-四链体DNA(AG3(T2AG3)3)相互作用。圆二色光谱实验表明,配合物能够诱导无序的G-四链体DNA以平行构型和反平行构型的共存体存在;从紫外和荧光滴定实验表明配合物与G-四链体之间存在较强的亲和力,拟合得到的结合常数可达106。 相似文献
17.
18.
In this study, galactose conjugated new magnesium and zinc porphyrazines were synthesized by the cyclotetramerization reaction of 2,3-bis[1-(2,2,7,7-tetramethyltetra-hydro-bis[1,3]dioxolo[4,5-b;4′,5′-d]pyran-5,methyl)-1H-[1,2,3]triazol-4-yl methylsulfanyl]-but 2-enedinitrile. This substituted dicyano compound was prepared via two different routes. One started from cis-1,2-dicyano-1,2-ethylenedithiolate disodium, [1-(2, 2, 7,7-tetramethyltetrahydrobis[1,3]dioxolo[4,5-b;4′,5′-d]pyran-5-yl-methyl)-1H-[1,2,3]triazo-l-4-yl]methanol and ended in a multi-step reaction sequence via Click procedures. The other reaction was between 5-azidomethyl-2,2,7,7-tetramethyltetrahydro-bis[1,3]dioxolo[4,5-b;4′,5′-d]pyran and (2Z)-2,3-bis(prop-2-yl-1-yl-thio)but-2-enedinitrile. A very soluble galactose linked magnesium porphyrazine derivative in common polar solvents and water was achieved by the deprotected isopropylidene groups in TFA and water media. It is first time, zinc porphyrazine complex has been achieved at one-step reaction by using Zn(BuO)2 as template agent. The new compounds have been characterized by a combination of elemental analysis, 1H, 13C NMR, IR, UV–vis and MS spectral data. 相似文献
19.