Two novel dithia[3.3]metacyclophanes substituted with ethynyl groups were synthesized as small-sized metacyclophanes from the corresponding brominated dithia-metacyclophanes via C-C bond formation reaction. These comp...Two novel dithia[3.3]metacyclophanes substituted with ethynyl groups were synthesized as small-sized metacyclophanes from the corresponding brominated dithia-metacyclophanes via C-C bond formation reaction. These compounds were characterized by using 1H NMR, mass spectrometry and elemental analyses. The exact structures were determined by using X-ray diffraction analyses. X-ray diffraction analysis results revealed that these compounds have anti conformations because of existence of intermolecular π-π interaction and some short contacts in the crystal. The long wavelength fluorescence was observed for one of the compound having a pyrene moiety in solid state because of the existence of the intermolecular π-π interaction between two pyrene units.展开更多
Compound 1 （5-hydroxy-6-methoxybenzofuran-3-yl）（4-methoxyphenyl）metha- none, C17H1405, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to （5,6...Compound 1 （5-hydroxy-6-methoxybenzofuran-3-yl）（4-methoxyphenyl）metha- none, C17H1405, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to （5,6-dihydroxybenzofuran-3-yl）（4-methoxyphenyi）me- thanone （2）. The compounds were characterized by MS and NMR spectra. Meanwhile, the crystal of 1 was obtained and determined by X-ray single-crystal diffraction. Crystal data： monoclinic system, space group P2/n, a = 8.908（6）, b = 10.505（7）, c = 15.452（11） A, β = 105.043（9）, V = 1396.4（16） A3, Z = 4, F（000） = 624, Dc = 1.419 g/cm3, p = 0.105 mm-1, R = 0.0513 and wR = 0.1246 for 14459 independent reflections （Rint = 0.0647） and 2488 observed ones （I〉 2σ（/））. lntermolecular O-H...O and π-π stacking interactions contributed to the stability of the structure.展开更多
Three new π-conjugated hetero aromatic materials consisting of pyridine 3a, furan 3b, and thiophene 3c have been synthesized by Knoevenagel condensation reaction. These molecules have been characterized by 1H NMR, EI...Three new π-conjugated hetero aromatic materials consisting of pyridine 3a, furan 3b, and thiophene 3c have been synthesized by Knoevenagel condensation reaction. These molecules have been characterized by 1H NMR, EI-MS and single crystal X-ray diffraction analysis. Molecule 3a crystallized under monoclinic system with space group C2/c, molecule 3b crystallized under triclinic system with space group P-1 and the molecule 3c crystalized under triclinic system with space group P-1. The optoelectronic properties of these compounds have been studied.Molecules 3a, 3b and 3c showed strong absorption maxima wavelengths at 300, 419 and 418 nm, respectively. The molar extinction coefficients (ε) of the compounds 3a, 3b and 3c suggested that molecule 3b has better ability to absorb UV light;molecule 3a has better fluorescence intensity than molecule 3b and 3c. Low energy gaps of HOMO and LUMO energy levels of these compounds suggests that these compounds may be a promising new class of lead compounds for developing high performance semiconductor materials. Compounds 3a, 3b and 3c has emissions near to blue light, a slight modification of the structures by extending conjugation may find important applications in optoelectronic devices as blue light emitters in organic light-emitting devices for the development of new generation organic semiconducting materials.展开更多
The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） ...The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） with CsCO3,and its structure was characterized by 1H NMR and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group P21/c with a=9.154（3）,b=5.2777（16）,c=24.897（7） nm,β=107.337（10）°,Z=2 and V=1.1482 nm3.X-ray analysis indicates that an intermolecular hydrogen bond C（8）-H（8A）…O（1）,weak C-H···π between H（9A） and the centre of anthracene rings and weak π-π interactions between two anthracene ring planes are observed.展开更多
文摘Two novel dithia[3.3]metacyclophanes substituted with ethynyl groups were synthesized as small-sized metacyclophanes from the corresponding brominated dithia-metacyclophanes via C-C bond formation reaction. These compounds were characterized by using 1H NMR, mass spectrometry and elemental analyses. The exact structures were determined by using X-ray diffraction analyses. X-ray diffraction analysis results revealed that these compounds have anti conformations because of existence of intermolecular π-π interaction and some short contacts in the crystal. The long wavelength fluorescence was observed for one of the compound having a pyrene moiety in solid state because of the existence of the intermolecular π-π interaction between two pyrene units.
基金Supported by the National Natural Science Foundation of China(No.21102084)Scientific and Technological Research Project of Hubei Provincial Department of Education(Q20111210)Science Foundation of China Three Gorges University(Nos.KJ2009B046and KJ2010B001)
文摘Compound 1 （5-hydroxy-6-methoxybenzofuran-3-yl）（4-methoxyphenyl）metha- none, C17H1405, as a potential anti-breast cancer agent has been synthesized under microwave irradiation, which was further converted to （5,6-dihydroxybenzofuran-3-yl）（4-methoxyphenyi）me- thanone （2）. The compounds were characterized by MS and NMR spectra. Meanwhile, the crystal of 1 was obtained and determined by X-ray single-crystal diffraction. Crystal data： monoclinic system, space group P2/n, a = 8.908（6）, b = 10.505（7）, c = 15.452（11） A, β = 105.043（9）, V = 1396.4（16） A3, Z = 4, F（000） = 624, Dc = 1.419 g/cm3, p = 0.105 mm-1, R = 0.0513 and wR = 0.1246 for 14459 independent reflections （Rint = 0.0647） and 2488 observed ones （I〉 2σ（/））. lntermolecular O-H...O and π-π stacking interactions contributed to the stability of the structure.
文摘Three new π-conjugated hetero aromatic materials consisting of pyridine 3a, furan 3b, and thiophene 3c have been synthesized by Knoevenagel condensation reaction. These molecules have been characterized by 1H NMR, EI-MS and single crystal X-ray diffraction analysis. Molecule 3a crystallized under monoclinic system with space group C2/c, molecule 3b crystallized under triclinic system with space group P-1 and the molecule 3c crystalized under triclinic system with space group P-1. The optoelectronic properties of these compounds have been studied.Molecules 3a, 3b and 3c showed strong absorption maxima wavelengths at 300, 419 and 418 nm, respectively. The molar extinction coefficients (ε) of the compounds 3a, 3b and 3c suggested that molecule 3b has better ability to absorb UV light;molecule 3a has better fluorescence intensity than molecule 3b and 3c. Low energy gaps of HOMO and LUMO energy levels of these compounds suggests that these compounds may be a promising new class of lead compounds for developing high performance semiconductor materials. Compounds 3a, 3b and 3c has emissions near to blue light, a slight modification of the structures by extending conjugation may find important applications in optoelectronic devices as blue light emitters in organic light-emitting devices for the development of new generation organic semiconducting materials.
基金Supported by the National Natural Science Foundation of China (No. 20772152) and the State Key Laboratory of Structural Chemistry
文摘The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） with CsCO3,and its structure was characterized by 1H NMR and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group P21/c with a=9.154（3）,b=5.2777（16）,c=24.897（7） nm,β=107.337（10）°,Z=2 and V=1.1482 nm3.X-ray analysis indicates that an intermolecular hydrogen bond C（8）-H（8A）…O（1）,weak C-H···π between H（9A） and the centre of anthracene rings and weak π-π interactions between two anthracene ring planes are observed.
