Two novel dihydropyran compounds （1 and 2） containing a triphenylamine group were synthesized and characterized. The structure of compound 2 was verified by single-crystal X-ray crystallography. It crystallizes in t...Two novel dihydropyran compounds （1 and 2） containing a triphenylamine group were synthesized and characterized. The structure of compound 2 was verified by single-crystal X-ray crystallography. It crystallizes in triclinic, space group PI with a = 6.9943（4）, b = 8.1360（4）, c = 23.9274（14） A, a -- 87.692（4）, β = 88.940（5）, ）, = 85.223（4）°, V= 1355.62（13） ,A3, Z = 2, F（000） = 520, Dc = 1.199 Mg/m3, Mr = 489.24 and μ = 0.075 mm-1. The UV-vis absorption and fluorescence of the two compounds were discussed. The two compounds exhibited strong blue emissions under ultraviolet light excitation. The molecular structure and HOMO and LUMO levels of compound 2 were calculated by density functional theory （DFT） at the B3LYP/6-31G（d） level.展开更多
Dihydropyran(DHP)compounds are not only found in natural products and bioactive molecules,but also serve as important precursors in organic synthesis.Nonetheless,traditional methods for the construction of such compou...Dihydropyran(DHP)compounds are not only found in natural products and bioactive molecules,but also serve as important precursors in organic synthesis.Nonetheless,traditional methods for the construction of such compounds are usually limited to disubstituted DHPs.To address this synthetic challenge,reported here is an efficient electrochemical strategy toward the selenated and trifluoromethylated DHP compounds.The reaction proceeded smoothly under mild electrolysis conditions.The broad substrate scope(>50 examples)and scalable synthesis demonstrated the complexity-building potential of the strategy.Initial mechanistic studies reveal that cyclization may involve a radical process.This protocol may promote the further development of diversified synthesis of multi-substituted dihydropyran.展开更多
In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxi...In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxic Alternaric acid structure. The results displayed the information on modification of primary molecules and further synthesis of new bioactive compounds.展开更多
The crystal structure of the title compound （C22H17BrOs, Mr = 441.27） has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76（I）, b = 14.58...The crystal structure of the title compound （C22H17BrOs, Mr = 441.27） has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76（I）, b = 14.58（1）, c = 11.52（1）A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F（000） = 896,μ（MoKa） = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections （1 〉 2o（/））. The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C（10）-H（10B）...O（4） and intermolecular C（17）-H（I 7）...0（4） hydrogen bonds contribute to the stability of the structure.展开更多
基金supported by grants from the Industrial Research Project of Science and Technology Department of Shaanxi Province(No.2013K09-25)
文摘Two novel dihydropyran compounds （1 and 2） containing a triphenylamine group were synthesized and characterized. The structure of compound 2 was verified by single-crystal X-ray crystallography. It crystallizes in triclinic, space group PI with a = 6.9943（4）, b = 8.1360（4）, c = 23.9274（14） A, a -- 87.692（4）, β = 88.940（5）, ）, = 85.223（4）°, V= 1355.62（13） ,A3, Z = 2, F（000） = 520, Dc = 1.199 Mg/m3, Mr = 489.24 and μ = 0.075 mm-1. The UV-vis absorption and fluorescence of the two compounds were discussed. The two compounds exhibited strong blue emissions under ultraviolet light excitation. The molecular structure and HOMO and LUMO levels of compound 2 were calculated by density functional theory （DFT） at the B3LYP/6-31G（d） level.
基金supported by the National Key R&D Program of China(2022YFA1505100,2021YFA1500100)the National Natural Science Foundation of China(22031008)+1 种基金the Fundamental Research Funds for the Central Universities(2042022rc0030,2042023kf0108,2042023kf1002)the Science Foundation of Wuhan(2020010601012192)。
文摘Dihydropyran(DHP)compounds are not only found in natural products and bioactive molecules,but also serve as important precursors in organic synthesis.Nonetheless,traditional methods for the construction of such compounds are usually limited to disubstituted DHPs.To address this synthetic challenge,reported here is an efficient electrochemical strategy toward the selenated and trifluoromethylated DHP compounds.The reaction proceeded smoothly under mild electrolysis conditions.The broad substrate scope(>50 examples)and scalable synthesis demonstrated the complexity-building potential of the strategy.Initial mechanistic studies reveal that cyclization may involve a radical process.This protocol may promote the further development of diversified synthesis of multi-substituted dihydropyran.
文摘In this paper, CoMFA method was applied to study the 3D QSAR on a series of 3 anilinomethylene 6 alkyl (aryl) 5,6 2H dihydropyran 2, 4 dione compounds, which were designed and synthesized referring to the natural toxic Alternaric acid structure. The results displayed the information on modification of primary molecules and further synthesis of new bioactive compounds.
基金Supported by NNSFC(No.20872046)the Fundamental Research Funds for the Central Universities(No.CCNU09A02013)
文摘The crystal structure of the title compound （C22H17BrOs, Mr = 441.27） has been determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pna21 with a = 11.76（I）, b = 14.58（1）, c = 11.52（1）A, V= 1973.9A3, Z= 4, Dc = 1.485 g/cm3, F（000） = 896,μ（MoKa） = 2.113 mm-1, the final R = 0.0394 and wR = 0.0809 for 3918 observed reflections （1 〉 2o（/））. The single-crystal X-ray diffraction data indicate that the C=C bond is in an E-configuration. The intramolecular C（10）-H（10B）...O（4） and intermolecular C（17）-H（I 7）...0（4） hydrogen bonds contribute to the stability of the structure.
基金supported by the National Natural Science Foundation of China(21872155,21473224)Cooperation Foundation of Dalian National Laboratory for Clean Energy(DNL 180303)+2 种基金Key Research Project of Frontier Science of Chinese Academy of Sciences(QYZDJ-SSW-SLH051)the Youth Innovation Promotion Association,CAS(2016371)the Suzhou Science and Technology Development Plan(SYG201626)~~
