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To discover novel lead compounds with better antifungal activities, a series of novel strobilurin derivatives containing quinolin-2(1H)-one moiety was designed and synthesized via intermediate derivatization method. Their structures were characterized by means of 1H nuclear magnetic resonance(1H NMR), 13C NMR and high resolution mass spectrometry(HRMS). The biological assay results indicate that most target compounds exhibit good to excellent fungicidal activities against 10 plant pathogens. Compounds 4d, 5b and 5c possess 94.1%, 83.8% and 80.9% in vitro inhibition respectively against Rhizotonia cereals at the concentration of 50 μg/mL, which are better than that of the control agents. Especially, the inhibition activities of compound 4d against all of the tested fungi approach or exceed those of the controls. The structure-activity relationship was also discussed. 相似文献
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TANG Xiaobin LI Zhenghui LI Yonghong LIU Wei YU Peng LI Lixin GUO Yu YANG Cheng 《高等学校化学研究》2015,31(1):71-77
A series of novel saccharin derivatives containing 1,2,3-triazole moiety was synthesized in satisfactory yields. The structures of all the compounds were elucidated and confirmed by Fourier transform infrared(FTIR) spectroscopy, 1H and 13C nuclear magnetic resonance(1H NMR, 13C NMR) spectroscopy, and high resolution mass spectrometry(HRMS). The bioassays indicated that most of the title compounds displayed some extent herbicidal activities at 100 μg/mL. 相似文献
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A series of novel bridged-neonicotinoid analogues were designed and synthesized, which were constructed by starting material 8 with cyclopentenone or cyclohexenone in the presence of catalyst aluminium chloride. All of the compounds were characterized and confirmed by 1H NMR, 13C NMR, HRMS and IR. The bioassay tests showed that compounds 5 and 6a showed higher bioactivities than imidacloprid against Aphis craccivora. 相似文献
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Surface structure, pore size distribution and pore wall thickness of a mesoporous material FSM-16 have been studied by X-ray powder diffraction (XRD), lH and 29Si MAS NMR and 1H liquid-state NMR, and by applying surface silylation as a probe. Concentrations of surface hydroxyl groups for FSM-16 are estimated from 29Si and 1H MAS NMR, which are about 3×l021 g-1, corresponding to approximately 3 nm-2. O2 molecules contribute to 29Si spin-lattice relaxation of Q2 and Q3 as well as Q4, suggesting thin wall thickness. 1H MAS NMR spectra indicate the presence of isolated and hydrogen-bonded hydroxyl groups. Both hydroxyl groups are silylated, where the silylated fraction is about 50%. The spatial distribution of surface hydroxyl groups is estimated from the line width in 1H static spectra. A rather homogeneous distribution is demonstrated in one of the samples. The sample with less homogeneous distribution has a larger affinity for moisture. Pore size and pore wall thickness were determined by 1H NMR measurements on water saturated FSM-16 samples, which are in good agreement with literature values obtained by N2 adsorption isotherms and transmission electron micrographs on a similar sample. In benzene saturated samples, a non-freezing surface layer of benzene is much thicker than that of water, which indicates a stronger interaction between benzene and the FSM-16 surface. 相似文献
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以丁基替换环己基,合成了20种二丁基一环己基锡羧酸酯。利用IR、NMR及元素分析表征了化合物的结构,确定了化合物的质谱裂解机制。对化合物进行了生物活性普筛试验。结果表明,这类化合物同时具有高效杀菌和杀螨活性。 相似文献
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合成了21个混合三烃基锡羧酸酯。利用红外光谱、核磁共振谱(1H,13C,119Sn)和质谱表征了化合物的结构。对取代苯甲酸酯化合物,锡原子的化学位移δ(119Sn)与苯环上取代基的Hammett常数有很好的线性关系。化合物的生物活性测定结果表明,它们具有高效杀螨活性。 相似文献
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为寻找更为有效的抗肿瘤药物,改善汉防己甲素的抗肿瘤活性,本文以汉防己甲素为原料,经过Suzuki反应设计并合成了6个新的双苄基异喹啉类衍生物。新化合物经过质谱(MS)、核磁共振氢谱(~1H NMR)、核磁共振碳谱(~(13)C NMR)等技术手段进行了结构确证。采用细胞计数试剂盒(CCK-8)法初步评价了6个新化合物对人肺癌细胞(A549)和小鼠白血病细胞(P388)的抗肿瘤活性。结果表明,化合物均有不同程度的抗肿瘤活性,其中化合物H1、H4、H6对A549细胞的抗肿瘤活性(IC5010μmol/L)明显优于阳性对照汉防己甲素。 相似文献
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Jing-Peng Zhang Yao-Guo Qin Ya-Wen Dong Dun-Lun Song Hong-Xia Duan Xin-Ling Yang 《中国化学快报》2017,28(2):372-376
In order to discover novel compounds with high-activity to control aphid,a series of novel(E)-β-farnesene analogues containing 1,2,3-thiadiazole were designed and synthesized,and their structures were confirmed by IR,~1H NMR,~(13)C NMR,and HRMS(ESI).The stability of representative compounds was studied by HPLC and ~1H NMR techniques.Repellent activity results indicated that compounds 8h and 8j displayed 60.3%and 62.0%repellent rates,respectively.The aphicidal bioassay results showed that most analogues exhibited considerable aphicidal activity against Myzus persicae.Especially,analogues 81,8s and 8t exhibited high activity with LC_(50) values of 33.4 μg/mL,50.2 μg/mL and 61.8 μg/mL,respectively,which were higher than the lead compound(E)-β-farnesene,but lower than commercial insecticide pymetrozine with a LC_(50) of 7.1 μg/mL 相似文献
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Thirteen novel phenyl substituted isoxazolecarboxamides were synthesized, and their structures were characterized by 1H NMR, elementary analysis and high-resolution mass spectrometry(HRMS) techniques. Their evaluated insecticidal activities against oriental armyworm(Mythimna separata) indicate that the phenyl substituted isoxazolecarboxamides exhibited moderate insecticidal activities, among which compounds 9c and 9k showed comparatively higher activities. 相似文献
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以顺丁烯二酸酐为原料,经过水解、缩合、库尔提斯重排、脱保护得到1-苄基-3-氨基-吡咯烷-4-羧酸甲酯盐酸盐,再与硫脲衍生物缩合得到1-苄基-4-(2-甲酸叔丁酯-3-胍基)吡咯烷-3-羧酸甲酯衍生物,最后经过水解、酯化、脱保护得到六氢-1H-吡咯并[3,4-d]嘧啶衍生物,其结构经~1H NMR、~(13)C NMR、ESI-MS和元素分析表征。3-(4,5-二甲基噻唑-2)-2,5-二苯基四氮唑溴盐(MTT)法测试其抗肿瘤活性,实验结果表明,其中化合物9d和9g对肿瘤细胞(Bel-7402)株具有明显的抑制活性。 相似文献
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The copolymer composition of N-vinyl-2-pyrrolidone/butyl acrylate (V/B) copolymers was determined from the quantitative 13C{1H} NMR spectra. The monomer reactivity ratios for N-vinyl-2-pyrrolidone (V) and butyl acrylate (B) were found to be rV=0.11±0.07, rB=0.54±0.19, using the Kelen–Tudos and non-linear least-square error-in-variable (EVM) methods. The 13C{1H} and 1H NMR spectra of these copolymers are overlapping and complex. The complete spectral assignment of the carbon and proton NMR spectra were done by employing distortionless enhancement by polarization transfer (DEPT) and two-dimensional (2D) 13C–1H heteronuclear single quantum correlation spectroscopy experiments. The 2D total correlation spectroscopy (TOCSY) (1H–1H homonuclear TOCSY) NMR spectrum was used to ascertain the various geminal and vicinal couplings in the copolymer. 相似文献
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以瑞香狼毒中分离的天然产物(E)-1,5-二苯基-2-烯-1-戊酮(A)为先导, 引入色酮片段设计合成了15个新型的瑞香酮类似物, 其结构均经IR, 1H NMR, 13C NMR及元素分析或HRMS确证. 杀菌活性测试结果表明, 在100 mg/mL浓度下, 部分化合物的杀菌活性优于先导化合物A, 其中化合物6d对水稻纹枯病菌和黄瓜灰霉病菌的抑制率分别为87%和86%, 与对照药剂苯醚甲环唑相当, 值得进一步优化研究. 相似文献
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13C and 1H NMR spectral parameters are investigated for 13CH3Br in gaseous matrices. It is found that both the 13C and 1H chemical shifts of 13CH3Br are linearly dependent on solvent density. Similar dependence is also detected for one-bond spin–spin coupling, 1J(CH). For the first time the 13C and 1H magnetic shielding constants and 1J(CH) spin–spin coupling are obtained for an isolated 13CH3Br molecule together with the coefficients responsible for solute–solvent molecular interactions in gaseous matrices. The present experimental results confirm the accuracy of some recent ab initio calculations of nuclear magnetic shielding performed for bromomethane. 相似文献
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Sixteen new derivatives of spiromesifen were synthesized from 3-(2,4,6-trimethylphenyl)-4-hydroxy-△~3-dihydrofuran-2-one. Their bioactivities against diamondbackmoth(Plutella xybstella) and spider mites(Tetranychus cinnabarinus) were also evaluated. The structures of these derivatives were confirmed by ~1H NMR,MS. 相似文献
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K. Laihia A. Valkonen E. Kolehmainen R. Suontamo M. Nissinen V. Nikiforov S. Selivanov 《Journal of Molecular Structure》2005,754(1-3):77-84
The 1H and 13C NMR chemical shifts for six toxaphene congeners: 2-exo,3-endo,6-exo,8,9,10-hexachloro- (1), 2-exo,3-endo,5-exo,9,9,10,10-heptachloro- (2), 2-exo,3-endo,6-exo,8,9,10,10-heptachloro- (3), 2-exo,3-endo,5-exo,6-endo,8,9,10-heptachloro- (4), 2-exo,3-endo,5-exo,6-endo,8,9,9,10-octachlorobornane (5) and 2,5-endo,6-exo,8,9,9,10,10-octachloro-2-bornene (6) are reported. Their chemical shift assignments have been obtained by means of Pulsed Field Gradient (PFG) Double Quantum Filtered (DQF) 1H,1H correlation spectroscopy (COSY), PFG 1H,13C Heteronuclear Multiple Quantum Coherence (HMQC) and PFG 1H,13C Heteronuclear Multiple Bond Correlation (HMBC) experiments. A single crystal X-ray structural analysis was made for compounds 1, 3, 4 and 6. The prevalences of two octachlorobornene rotamers (6a,6b) were elucidated by ab initio MO method and single point DFT/GIAO calculations for 13C chemical shifts. Theoretical calculations proved that the single crystal structure of 6 corresponds its most stable conformer in solution. 相似文献