Sodium deoxycholate (NaDOC) could induce 1-bromo-4-(bromoacetyl) naphthalene (BBAN) to emit strong room temperature phosphorescence (RTP). Measurements of phosphore- scence spectra, peak intensity and polarization we...Sodium deoxycholate (NaDOC) could induce 1-bromo-4-(bromoacetyl) naphthalene (BBAN) to emit strong room temperature phosphorescence (RTP). Measurements of phosphore- scence spectra, peak intensity and polarization were used to investigate the solubilization of BBAN as a function of NaDOC concentration.展开更多
Our previous research showed that aliphatic amines were put in order of high reactivity as “ethylamine > ammonia > t-butylamine > diethylamine” on the aromatic nucleophilic substitution of 1-dimetylamino-2,...Our previous research showed that aliphatic amines were put in order of high reactivity as “ethylamine > ammonia > t-butylamine > diethylamine” on the aromatic nucleophilic substitution of 1-dimetylamino-2,4-bis(trifluoroacetyl)-naphthalene 1 in acetonitrile. The DFT calculation study (B3LYP/6-31G* with solvation model) for the reactions of 1 with above four amines rationally explained the difference of each amines reactivity based on the energies of their Meisenheimer complexes 3 which are assumed to formed as the reaction intermediates in the course of the reaction giving the corresponding N-N exchange products 2. Intramolecular hydrogen bond between amino proton in 1-amino group and carbonyl oxygen in 2-trifluoroacetyl group stabilizes Meisenheimer complexes 3 effectively, and accelerates the substitution reaction from 1 to 2. Our calculation results also predicted that the above order of amines is also true if less polar toluene is used as a solvent instead of acetonitrile even though more enhanced conditions are required.展开更多
1-H-Pyrrole-2-carboxylic acid [2-（naphthalen-1-ylamino）-ethyl]-amide has been synthesized and characterized. Its crystal is of monoclinic, space group P2 1/n with a = 5.930（6）, b = 12.144（13）, c = 20.10（2） , ...1-H-Pyrrole-2-carboxylic acid [2-（naphthalen-1-ylamino）-ethyl]-amide has been synthesized and characterized. Its crystal is of monoclinic, space group P2 1/n with a = 5.930（6）, b = 12.144（13）, c = 20.10（2） , A, β = 95.709（17）°, V= 1441（3） ,A, Z= 4, C17H17N3O, Mr= 279.34, Dc= 1.288 g/cm^3, F（000） = 592, μ（MoKa） = 0.083 mm^-1, S = 1.019, R = 0.0473 and wR = 0.1181 for 1713 observed reflections with I 〉 2 σ（I）. X-ray diffraction reveals that two molecules of the title compound form a dimer through a pair of N-H…O hydrogen bonds.展开更多
The title compound, 1-4-（dimethylamino）benzylidene）-4-（naphthalene-1-yl） thiosemicarbazide （DMABNTS, C20H20N4S, Mr = 348.47）, was synthesized and characterized by elemental analysis, 1R, ^1H NMR and MS. The cry...The title compound, 1-4-（dimethylamino）benzylidene）-4-（naphthalene-1-yl） thiosemicarbazide （DMABNTS, C20H20N4S, Mr = 348.47）, was synthesized and characterized by elemental analysis, 1R, ^1H NMR and MS. The crystal structure of DMABNTS with 1,4-dioxane （Diox, C4H8O2） solvent molecules （DMABNTS·2Diox, C28H36N4O4S, Mr = 524.67） was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 14.418（4）, b = 7.1702（19）, c = 28.350（7）°A,β= 101.154（6）°, V= 2875.4（13） °A^3, Z= 4, Dc= 1.212 g/cm^3, F（000） = 1120 and μ= 0.151 mm^-1. A total of 6458 reflections were collected, of which 4671 were unique. The structure was solved by direct methods and refined to the final R = 0.0732 and wR = 0.2127 for 3921 observed reflections （I〉 2σ（I））. There exist intermolecular hydrogen bonds （N（2）-H（2B）…S（1A）and N（1）-H（1A）…O（4B）） in the structure. The study of fluorescent properties ＇shows that DMABNTS emits bright solid-state fluorescence in the visible region and exhibits blue photoluminescence.展开更多
The title compound 4-bromo-5-ethoxy-3-methyl-5-（naphthalen-l-yl）-l-tosyl-lH- pyrrol-2（5H）-one 1 （C24H22BrNO4S, Mr = 500.40） has been synthesized and its crystal structure was determined by single-crystal X-ray d...The title compound 4-bromo-5-ethoxy-3-methyl-5-（naphthalen-l-yl）-l-tosyl-lH- pyrrol-2（5H）-one 1 （C24H22BrNO4S, Mr = 500.40） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 8.8562（15）, b = 18.118（3）, c = 14.055（2）A, β = 99.855（3）^o, V= 2221.9（6）A3, Z = 4, Dc = 1.496 g/cm^3,μ= 1.975 mm^-1, 2 = 0.71073A, F（000） = 1024, R = 0.0607 and wR = 0.1371.展开更多
文摘Sodium deoxycholate (NaDOC) could induce 1-bromo-4-(bromoacetyl) naphthalene (BBAN) to emit strong room temperature phosphorescence (RTP). Measurements of phosphore- scence spectra, peak intensity and polarization were used to investigate the solubilization of BBAN as a function of NaDOC concentration.
文摘Our previous research showed that aliphatic amines were put in order of high reactivity as “ethylamine > ammonia > t-butylamine > diethylamine” on the aromatic nucleophilic substitution of 1-dimetylamino-2,4-bis(trifluoroacetyl)-naphthalene 1 in acetonitrile. The DFT calculation study (B3LYP/6-31G* with solvation model) for the reactions of 1 with above four amines rationally explained the difference of each amines reactivity based on the energies of their Meisenheimer complexes 3 which are assumed to formed as the reaction intermediates in the course of the reaction giving the corresponding N-N exchange products 2. Intramolecular hydrogen bond between amino proton in 1-amino group and carbonyl oxygen in 2-trifluoroacetyl group stabilizes Meisenheimer complexes 3 effectively, and accelerates the substitution reaction from 1 to 2. Our calculation results also predicted that the above order of amines is also true if less polar toluene is used as a solvent instead of acetonitrile even though more enhanced conditions are required.
基金The program was supported by University Science Foundation of TianjinEducational Committee (20050609) and Tianjin Normal University
文摘1-H-Pyrrole-2-carboxylic acid [2-（naphthalen-1-ylamino）-ethyl]-amide has been synthesized and characterized. Its crystal is of monoclinic, space group P2 1/n with a = 5.930（6）, b = 12.144（13）, c = 20.10（2） , A, β = 95.709（17）°, V= 1441（3） ,A, Z= 4, C17H17N3O, Mr= 279.34, Dc= 1.288 g/cm^3, F（000） = 592, μ（MoKa） = 0.083 mm^-1, S = 1.019, R = 0.0473 and wR = 0.1181 for 1713 observed reflections with I 〉 2 σ（I）. X-ray diffraction reveals that two molecules of the title compound form a dimer through a pair of N-H…O hydrogen bonds.
文摘The title compound, 1-4-（dimethylamino）benzylidene）-4-（naphthalene-1-yl） thiosemicarbazide （DMABNTS, C20H20N4S, Mr = 348.47）, was synthesized and characterized by elemental analysis, 1R, ^1H NMR and MS. The crystal structure of DMABNTS with 1,4-dioxane （Diox, C4H8O2） solvent molecules （DMABNTS·2Diox, C28H36N4O4S, Mr = 524.67） was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 14.418（4）, b = 7.1702（19）, c = 28.350（7）°A,β= 101.154（6）°, V= 2875.4（13） °A^3, Z= 4, Dc= 1.212 g/cm^3, F（000） = 1120 and μ= 0.151 mm^-1. A total of 6458 reflections were collected, of which 4671 were unique. The structure was solved by direct methods and refined to the final R = 0.0732 and wR = 0.2127 for 3921 observed reflections （I〉 2σ（I））. There exist intermolecular hydrogen bonds （N（2）-H（2B）…S（1A）and N（1）-H（1A）…O（4B）） in the structure. The study of fluorescent properties ＇shows that DMABNTS emits bright solid-state fluorescence in the visible region and exhibits blue photoluminescence.
基金This work was supported by the National Natural Science Foundation of China (No. 20472072 and 20332060)the CAS Academician Foundation of Zhejiang Province
文摘The title compound 4-bromo-5-ethoxy-3-methyl-5-（naphthalen-l-yl）-l-tosyl-lH- pyrrol-2（5H）-one 1 （C24H22BrNO4S, Mr = 500.40） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 8.8562（15）, b = 18.118（3）, c = 14.055（2）A, β = 99.855（3）^o, V= 2221.9（6）A3, Z = 4, Dc = 1.496 g/cm^3,μ= 1.975 mm^-1, 2 = 0.71073A, F（000） = 1024, R = 0.0607 and wR = 0.1371.
