The target compound （C58H74N6010） has been structurally determined by single- crystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a = 22.08（3）, b = 12.628（19）, c- 21.73（3...The target compound （C58H74N6010） has been structurally determined by single- crystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a = 22.08（3）, b = 12.628（19）, c- 21.73（3）A, β= 106.78（3）°, C58H74N6010, Mr= 1015.23, Dc = 1.16239 g/cm^3, V = 5801（14） A3, Z = 4, F（000） = 2176, μ（MoKa） = 0.080 mm^-1, T = 293（2） K, 5107 independent reflections with 3125 observed ones （1〉 20（I））, R = 0.0768 and wR = 0.2305 with GOF = 1.025 （R = 0.1129 and wR = 0.2674 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O and N-H…O hydrogen bonds. The thermal analysis showed that the decomposition mechanism of compound 3 is complex. Fluorescence spectra of 3 exhibited an emission band at 423 nm when excited with 360 nm radiation at room temperature in DMF.展开更多
Calix[4]arene derivatives have been reported to possess high selectivity for metal ions.In order to analyze the extraction effect of substituents on Hg^(2+)and Pb^(2+),calix[4]arene derivatives containing hydroxyl,bro...Calix[4]arene derivatives have been reported to possess high selectivity for metal ions.In order to analyze the extraction effect of substituents on Hg^(2+)and Pb^(2+),calix[4]arene derivatives containing hydroxyl,bromoethoxy and 1,11-dioxa-4,8-dithiahendecene were successfully synthesized,with their extraction effectiveness towards Hg^(2+)and Pb^(2+)were evaluated respectively.The results indicated that the phenolic hydroxyl in calix[4]arene improved the extraction ability on Hg^(2+)by promoting the formation of the negative oxygen ions that could bind with Hg^(2+)by coordination and ionic bonds.The extraction ability of 5,17-dinitro-26,28-(1’,11’-dioxa-4’,8’-dithiahendecene)-calix[4]arene(calix[4]arene thia derivative)was improved slightly due to the better coordination capacity for metal ions after introduction of 1,11-dioxa-4,8-dithiahendecene,which was a chelate-binding centre.Regarding to Pb^(2+),only 1,11-dioxa-4,8-dithiahendecene on molecule contributed to extraction due to the coordination bond.Since the metal ion with higher charge-to-radius ratio could coordinate with one ligand more stably,Pb^(2+)with higher charge-to-radius ratio than Hg^(2+)was coordinated and extracted by the calix[4]arene thia derivative more easily.Furthermore,extraction rates of the calix[4]arene thia derivative on both ions(Hg^(2+)and Pb^(2+))increased with the increase of pH value in acidic aqueous system(pH<7).展开更多
The title complex （C50H44C14O8） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/n with a = 19.7768（4）, b =10.2085（2）, c = 21...The title complex （C50H44C14O8） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/n with a = 19.7768（4）, b =10.2085（2）, c = 21.2721（4）A,β= 97.153（1）°, V = 4261.23（14）A^3, Z = 4, Mr = 914.65, F（000） = 1904, Dc = 1.426 g/cm^3,μ = 0.336, the final R = 0.0550 and wR = 0.1647. The compound was structurally characterized by IR and ^1H NMR. The molecules are stacked through C-H...π interactions and intermolecular C-H...O hydrogen bonds.展开更多
New calix[4]arene derivatives containing nitro,amino and benzoyl in the upper and lower rims of molecule were successfully synthesized.Their effectiveness towards K+ and Hg2+ across bubbling liquid membrane(BLM) was e...New calix[4]arene derivatives containing nitro,amino and benzoyl in the upper and lower rims of molecule were successfully synthesized.Their effectiveness towards K+ and Hg2+ across bubbling liquid membrane(BLM) was examined.For K+ ion transfer,preserving phenolic hydroxyl in the lower rim of calix[4]arene could enhance its transport ability.When benzoyl replaced phenolic hydroxyl,the transport would fall off,because benzoyl caused steric hindrance on the K+ transfer.The study also revealed that the group having the electron-withdrawing conjugative effect on phenolic hydroxyl,-NO2 in the upper rim of calix[4]arene,made transport ability of calix[4]arene fall off.On the contrary,-NH2 that had electron-repulsive conjugative effect enhanced the transport ability of the compound.For Hg2+ ion,only -NH2 in the upper rim of calix[4]arenes had high affinity for it and contributed to Hg2+ transfer.Transport amount of Hg2+ ion increased with increasing calix[4]arene5 concentration and ΔpH in BLM.展开更多
The title compound （C50H.44010） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 16.713（4）, b --- 13.189（3）, c = 1...The title compound （C50H.44010） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 16.713（4）, b --- 13.189（3）, c = 19.434（5） A, β = 104.411（4）°, Mr = 804.85, Dc = 1.288 g/cm3, V = 4149.2（17） A3, Z = 4, F（000） = 1696, #（MoKa） = 0.089 mm-1T = 296（2） K, 7279 independent reflections with 3172 observed ones （I 〉 2δ（/））, R = 0.0520 and wR = 0.1203 with GOF = 0.928 （R = 0.1464 and wR = 0.1657 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O hydrogen bonds. Preliminary bioassays indicated that the title compound has a potent inhibitory activity against the strand transfer process of HIV-1 integrase.展开更多
A novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes with the reaction between 4-（N-bromoacetyla- mino）-phthalimide derivatives and calix[4]arene has been synthesized and structurally characteriz...A novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes with the reaction between 4-（N-bromoacetyla- mino）-phthalimide derivatives and calix[4]arene has been synthesized and structurally characterized by IR, IH NMR and MS. From their analysis data, it was found that compounds 7a-Td adopted a cone conformation.展开更多
Two calix[4]arene derivatives containing 1,2,3-triazole moiety were synthesized via K2CO3-catalyzed1,3-dipolar cycloaddition reaction between calix[4]arene-based azide and active methylene compounds in good yields.The...Two calix[4]arene derivatives containing 1,2,3-triazole moiety were synthesized via K2CO3-catalyzed1,3-dipolar cycloaddition reaction between calix[4]arene-based azide and active methylene compounds in good yields.The structures of the two compounds synthesized herein were fully confirmed by 1HNMR,,（13）C NMR,and MS（ESI）.The thermal analysis showed that the mass losses of the synthesized compounds 4 and 5 containing 1,2,3-triazole groups are similar to each other.展开更多
A novel series of calix[4]arene derivatives were synthesized via a Pd-catalyzed Sonogashira coupling reaction from para-substituted iodobenzene and 25,27-dipropargyl-calix[4]arene. Fluorescence studies found that nitr...A novel series of calix[4]arene derivatives were synthesized via a Pd-catalyzed Sonogashira coupling reaction from para-substituted iodobenzene and 25,27-dipropargyl-calix[4]arene. Fluorescence studies found that nitro-phenols clearly exhibited quenching effects on 2c. Moreover, we minimized the free energy of the complexes by theoretical calculations. As the result, the πr-π stacking interactions take place between the 4-nitrophenol and calix[4]arene, which may lead to the significant fluorescence quench.展开更多
A series of malonate derivatives-calix[4]arene conjugates were synthesized through Knoevenagel condensation reaction between formyl-tetrapropoxycalix[4]arene and malonate derivatives. The structures of the resulting m...A series of malonate derivatives-calix[4]arene conjugates were synthesized through Knoevenagel condensation reaction between formyl-tetrapropoxycalix[4]arene and malonate derivatives. The structures of the resulting malonate derivative functionalized calix[4]arenes were characterized by NMR spectroscopy, mass spectrometry and even single crystal X-ray diffraction analysis.展开更多
A series of novel calix[4]arene derivatives incorporating two triazolyl 1 3-diketo subunits in alternate positions at the lower rim were synthesized and screened for HⅣ integrase inhibition activity.The chemical stru...A series of novel calix[4]arene derivatives incorporating two triazolyl 1 3-diketo subunits in alternate positions at the lower rim were synthesized and screened for HⅣ integrase inhibition activity.The chemical structures of these compounds were confirmed by means of1H NMR 13C NMR,and ESI-MS.Preliminary bioassays indicated that calix[4]arene derivatives proved to be more active than p-tertbutylcalix[4]arene derivatives.In particular,compound 4g presented the most potent integrase strand transfer inhibitory activity with an IC50value of 6.1 mmol/L.展开更多
基金supported by the National Natural Science Foundation of China(No.21102003)Scientific Research Foundation for the Introduction of Talent of Anhui University of Science & Technology
文摘The target compound （C58H74N6010） has been structurally determined by single- crystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a = 22.08（3）, b = 12.628（19）, c- 21.73（3）A, β= 106.78（3）°, C58H74N6010, Mr= 1015.23, Dc = 1.16239 g/cm^3, V = 5801（14） A3, Z = 4, F（000） = 2176, μ（MoKa） = 0.080 mm^-1, T = 293（2） K, 5107 independent reflections with 3125 observed ones （1〉 20（I））, R = 0.0768 and wR = 0.2305 with GOF = 1.025 （R = 0.1129 and wR = 0.2674 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O and N-H…O hydrogen bonds. The thermal analysis showed that the decomposition mechanism of compound 3 is complex. Fluorescence spectra of 3 exhibited an emission band at 423 nm when excited with 360 nm radiation at room temperature in DMF.
基金Natural Science Foundation of Education Department of Anhui Province,China(No.KJ2013B028)Textile Science and Technology Key Discipline in Anhui Polytechnic University,China
文摘Calix[4]arene derivatives have been reported to possess high selectivity for metal ions.In order to analyze the extraction effect of substituents on Hg^(2+)and Pb^(2+),calix[4]arene derivatives containing hydroxyl,bromoethoxy and 1,11-dioxa-4,8-dithiahendecene were successfully synthesized,with their extraction effectiveness towards Hg^(2+)and Pb^(2+)were evaluated respectively.The results indicated that the phenolic hydroxyl in calix[4]arene improved the extraction ability on Hg^(2+)by promoting the formation of the negative oxygen ions that could bind with Hg^(2+)by coordination and ionic bonds.The extraction ability of 5,17-dinitro-26,28-(1’,11’-dioxa-4’,8’-dithiahendecene)-calix[4]arene(calix[4]arene thia derivative)was improved slightly due to the better coordination capacity for metal ions after introduction of 1,11-dioxa-4,8-dithiahendecene,which was a chelate-binding centre.Regarding to Pb^(2+),only 1,11-dioxa-4,8-dithiahendecene on molecule contributed to extraction due to the coordination bond.Since the metal ion with higher charge-to-radius ratio could coordinate with one ligand more stably,Pb^(2+)with higher charge-to-radius ratio than Hg^(2+)was coordinated and extracted by the calix[4]arene thia derivative more easily.Furthermore,extraction rates of the calix[4]arene thia derivative on both ions(Hg^(2+)and Pb^(2+))increased with the increase of pH value in acidic aqueous system(pH<7).
基金the Scientific Research Fund Projects of China West Normal University(No.06B003)the Youth Fund Projects of Sichuan Educational Department(No.2006B039)
文摘The title complex （C50H44C14O8） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/n with a = 19.7768（4）, b =10.2085（2）, c = 21.2721（4）A,β= 97.153（1）°, V = 4261.23（14）A^3, Z = 4, Mr = 914.65, F（000） = 1904, Dc = 1.426 g/cm^3,μ = 0.336, the final R = 0.0550 and wR = 0.1647. The compound was structurally characterized by IR and ^1H NMR. The molecules are stacked through C-H...π interactions and intermolecular C-H...O hydrogen bonds.
基金Natural Science Foundation of Education Department of Anhui Province,China(No. KJ2011B021)
文摘New calix[4]arene derivatives containing nitro,amino and benzoyl in the upper and lower rims of molecule were successfully synthesized.Their effectiveness towards K+ and Hg2+ across bubbling liquid membrane(BLM) was examined.For K+ ion transfer,preserving phenolic hydroxyl in the lower rim of calix[4]arene could enhance its transport ability.When benzoyl replaced phenolic hydroxyl,the transport would fall off,because benzoyl caused steric hindrance on the K+ transfer.The study also revealed that the group having the electron-withdrawing conjugative effect on phenolic hydroxyl,-NO2 in the upper rim of calix[4]arene,made transport ability of calix[4]arene fall off.On the contrary,-NH2 that had electron-repulsive conjugative effect enhanced the transport ability of the compound.For Hg2+ ion,only -NH2 in the upper rim of calix[4]arenes had high affinity for it and contributed to Hg2+ transfer.Transport amount of Hg2+ ion increased with increasing calix[4]arene5 concentration and ΔpH in BLM.
基金supported by the National Natural Science Foundation of China(No.21102003)National Students'Innovation and Entrepreneurship Training Program(No.201210361094)Scientific Research Foundation for the Introduction of Talent and Young Teachers Scientific Research Foundation of Anhui University of Science&Technology(11214,2012QNY27)
文摘The title compound （C50H.44010） was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in monoclinic, space group P21/c with a = 16.713（4）, b --- 13.189（3）, c = 19.434（5） A, β = 104.411（4）°, Mr = 804.85, Dc = 1.288 g/cm3, V = 4149.2（17） A3, Z = 4, F（000） = 1696, #（MoKa） = 0.089 mm-1T = 296（2） K, 7279 independent reflections with 3172 observed ones （I 〉 2δ（/））, R = 0.0520 and wR = 0.1203 with GOF = 0.928 （R = 0.1464 and wR = 0.1657 for all data）. The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O hydrogen bonds. Preliminary bioassays indicated that the title compound has a potent inhibitory activity against the strand transfer process of HIV-1 integrase.
文摘A novel series of N-alkylphthalimidylaminocarbonylmethoxylcalix[4]arenes with the reaction between 4-（N-bromoacetyla- mino）-phthalimide derivatives and calix[4]arene has been synthesized and structurally characterized by IR, IH NMR and MS. From their analysis data, it was found that compounds 7a-Td adopted a cone conformation.
基金the financial supports of the National Natural Science Foundation of China(No.21102003)Scientific Research Foundation for the Introduction of Talent and Young Teachers Scientific Research Foundation of Anhui University of Science & Technology(Nos.11214,2012QNY27)
文摘Two calix[4]arene derivatives containing 1,2,3-triazole moiety were synthesized via K2CO3-catalyzed1,3-dipolar cycloaddition reaction between calix[4]arene-based azide and active methylene compounds in good yields.The structures of the two compounds synthesized herein were fully confirmed by 1HNMR,,（13）C NMR,and MS（ESI）.The thermal analysis showed that the mass losses of the synthesized compounds 4 and 5 containing 1,2,3-triazole groups are similar to each other.
基金financially supported by the National Natural Science Foundation of China(Nos.21372092,21072072, 21102051)PCSIRT(No.IRT0953)+2 种基金Program for New Century Excellent Talent in University(No.NCET-10-0428)self-determined research funds of CCNU from the colleges,basic research and operation of MOE(Nos.CCNU11C01002,CCNU13F005)State Key Laboratory of Chemo/Biosensing and Chemometrics (201003)
文摘A novel series of calix[4]arene derivatives were synthesized via a Pd-catalyzed Sonogashira coupling reaction from para-substituted iodobenzene and 25,27-dipropargyl-calix[4]arene. Fluorescence studies found that nitro-phenols clearly exhibited quenching effects on 2c. Moreover, we minimized the free energy of the complexes by theoretical calculations. As the result, the πr-π stacking interactions take place between the 4-nitrophenol and calix[4]arene, which may lead to the significant fluorescence quench.
基金Financial support from the National Natural Science Foundation of China (No. 21371177) is acknowledged
文摘A series of malonate derivatives-calix[4]arene conjugates were synthesized through Knoevenagel condensation reaction between formyl-tetrapropoxycalix[4]arene and malonate derivatives. The structures of the resulting malonate derivative functionalized calix[4]arenes were characterized by NMR spectroscopy, mass spectrometry and even single crystal X-ray diffraction analysis.
基金the National Natural Science Foundation of China (Nos.21102003, 21102084, 81202438)Scientific Research Foundation for the Introduction of Talent and Young Teachers Scientific Research Foundation of Anhui University of Science & Technology (Nos. 11214, 2012QNY27) for the financial supports
文摘A series of novel calix[4]arene derivatives incorporating two triazolyl 1 3-diketo subunits in alternate positions at the lower rim were synthesized and screened for HⅣ integrase inhibition activity.The chemical structures of these compounds were confirmed by means of1H NMR 13C NMR,and ESI-MS.Preliminary bioassays indicated that calix[4]arene derivatives proved to be more active than p-tertbutylcalix[4]arene derivatives.In particular,compound 4g presented the most potent integrase strand transfer inhibitory activity with an IC50value of 6.1 mmol/L.
