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Nevin Süleymanoğlu Reşat Ustabaş Yelda Bingöl Alpaslan Ufuk Çoruh Sevgi Karakuş Sevim Rollas 《Structural chemistry》2010,21(1):59-65
2-Propylamino-5-[4-(2-hydroxy-3,5-dichlorobenzylideneamino) phenyl]-1,3,4-thiadiazole, formulated as C18H16Cl2N4OS (I), was synthesized. The crystal and molecular structure of (I) have been determined by 1H-NMR, IR, and X-ray single crystal diffraction. The compound (I) crystallizes in the monoclinic, space group P2(1)/c with unit cell parameters a = 9.0576(2) Å, b = 24.3382(8) Å, c = 9.0585(2) Å, M r = 407.31, V = 1851.13(9) Å3, Z = 4, R 1 = 0.036, and wR 2 = 0.096. Molecular geometry from X-ray experiment of (I) in the ground state has been compared using the density functional method (B3LYP) with 6-31G(d) basis set. To determine conformational flexibility, molecular energy profile of (I) was obtained by semi-empirical (PM3) calculations with respect to selected degree of torsional freedom, which was varied from ?180° to +180° in steps of 10°. The results are indicative that the Schiff base, which contains a thiadiazole ring, prefers to be in E-configuration. In addition, molecular electrostatic potential, frontier molecular orbitals, and natural bond orbitals analysis were performed by the B3LYP/6-31G(d) method. 相似文献
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Kumar Pardeep Nagaraj Chandana Joshi Raman Goud N. Sridhar Kumar Dinesh Korann Vittal Mangalore Sandhya Rao Naren P. 《Journal of Radioanalytical and Nuclear Chemistry》2021,329(2):581-589
Journal of Radioanalytical and Nuclear Chemistry - Fluorine-18 (18F) flumazenil (FMZ) was synthesized and purified using a single solid-phase cartridge and the formulation was tested in animals for... 相似文献
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Yong He Rui Ding Hang Liu Xiao Wang Jing-Li Xu Man Feng Yu-Rong Chen Chuan-Min Qi Cheng Peng Zhao-Hui Zhu Yong-Hong Dang Ming Wang Yun-Chuan Ma 《Journal of Radioanalytical and Nuclear Chemistry》2010,286(1):135-140
As degradation product of Antineoplaston A10 in vivo, phenylacetyl glutamine showed antitumor activities. According to literatures, we designed and radiosynthesized a phenylacetyl glutamine derivative, which was achieved under a mild reaction condition. Evaluations in vitro and in vivo were performed on tumor bearing mice. Excitingly, the radiochemical purity of (S)-2-((S)-2-(4-(3-fluoropropyl)benzamido)-3-phenylpropanamido)pentanedioic acid ([18F]FBPPA) was 98%, and besides the best radiochemical yield was up to 46%. T/Bl (Tumor/Blood) and T/M (Tumor/Muscle) ratios of [18F]FBPPA at 60 min post injection were 2.33 and 3.51. Meanwhile, it showed satisfied stability in vitro and in vivo, compared with 2-[18F]fluorodeoxyglucose ([18F]FDG). Although [18F]FBPPA deserved further studies to make optimizations on its structure, the results revealed it might become a potential PET imaging agent for detecting tumors. 相似文献
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Xiang Zhang Falguni Basuli Sameh Abdelwahed Tadhg Begley Rolf Swenson 《Molecules (Basel, Switzerland)》2021,26(18)
In this report, a simple and efficient process to achieve fluorine-18-labeled 1,2,3-triazole is reported. The heteroaromatic radiofluorination was successfully achieved through an iodine–fluorine-18 exchange in an aqueous medium requiring only trace amounts of base and no azeotropic drying of fluorine-18. This methodology was optimized on a model reaction and further validated on multiple 1,2,3-triazole substrates with 18–60% radiochemical conversions. Using this strategy—the radiosynthesis of a triazole-based thiamin analogue—a potential positron emission tomography (PET) probe for imaging thiamin-dependent enzymes was synthesized with 10–16% isolated radiochemical yield (RCY) in 40 min (uncorrected, n > 5). 相似文献
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以芳甲酰肼和对硝基苯甲酰氯为主要原料, 合成出了10个酰氨基硫脲化合物5a~5j, 其中有6个(5d, 5f~5j)为新化合物. 在无需任何酸性催化剂条件下, 将制得的酰氨基硫脲在DMF中加热回流直接脱水关环合成出了9个2-芳基-5-(4-硝基苯甲酰氨基)-1,3,4-噻二唑化合物6a~6i, 其中7个(6b~6d, 6f~6i)为新化合物. 利用IR和1H NMR证明了化合物5存在两种异构体. 目标产物的结构通过IR, 1H NMR和元素分析进行了表征. 相似文献
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《Journal of Coordination Chemistry》2012,65(2):206-213
A new nickel coordination polymer was obtained from an unsymmetric building block 5-(3-pyridyl)-1,3,4-oxadiazole-2-thione (HL6) and Ni(NO3)2 · 6H2O-afforded [Ni(L6)2(H2O)2] n (1) with a (4,4) network. Complex 1 exhibits moderate antimicrobial activity against Bacillus subtilis ATCC 6633 and Candida albicans ATCC 90028. Thermogravimetric data and magnetic moments for 1 have been investigated. 相似文献
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2,2,6,6,-四甲基哌啶-1-氧自由基是目前应用最广泛的自旋标记试剂之一,但用哌啶氮氧自由基标记1,3,4-恶二唑类杂环的研究。迄今未见报道。1,3,4-恶二唑杂环衍生物具有抗结核、 相似文献
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2,5-二[4-(2-芳基乙烯基)苯基]噁二唑的合成及发光特征 总被引:6,自引:0,他引:6
二乙烯联苯及其衍生物是一种可发射蓝光的小分子空穴型有机发光材料, 通过Wittig-Horner反应, 将电子传输型噁二唑环“嵌入”其中, 设计合成了6个2,5-二[4-(2-芳基乙烯基)苯基]-1,3,4-噁二唑化合物. 经光谱分析和元素分析等方法确认了它们的化学结构. IR和UV-vis分析数据表明标题化合物分子结构中的C=C双键均为反式结构特征. 研究结果表明: 2,5-二[4-(2-对二甲氨基苯基乙烯基)苯基]-1,3,4-噁二唑具有良好的蓝色发光性能; 取代基对标题化合物的UV-vis吸收光谱和发光特性的影响显着. 相似文献
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Ravinaik B. Rao M. V. B. Rao P. T. S. R. K. P. Ramachandran D. Reddy D. R. S. 《Russian Journal of Organic Chemistry》2021,57(4):624-630
Russian Journal of Organic Chemistry - A series of substituted N-(4-{5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl}phenyl)benzamides were designed... 相似文献
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It has been shown by1H NMR spectroscopy that hydrazones obtained by the condensation of hydrazides of [5-4-pyridyl)-1,3,4-oxadiazol-2-ylthio] acetic or 2-[5-(2-pyridyl)-1,3,4-oxadiazol-2-ylthio]propionic acids with aldehydes, ketones, and -dicarbonyl compounds exist in DMSO solution as a mixture of stereoisomeric forms.Institute of Chemistry, Vilnius LT-2600, Lithuania. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 7, pp. 966–971, July, 2000. 相似文献
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Zarghi A Hajimahdi Z Mohebbi S Rashidi H Mozaffari S Sarraf S Faizi M Tabatabaee SA Shafiee A 《Chemical & pharmaceutical bulletin》2008,56(4):509-512
A new series of 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles was designed and synthesized as anticonvulsant agents. Electroshock and pentylenetetrazole-induced lethal convulsion tests showed that the introduction of an amino group at position 2 of 1,3,4-oxadiazole ring and a fluoro substituent at ortho position of benzyloxy moiety had the best anticonvulsant activity. Our results showed that this effect is mediated through benzodiazepine receptors mechanism. 相似文献
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