This paper investigated the effects of β-cyclodextrins （I3-CD） and its two derivatives, hydroxypropyl-β-cyclodextrin （HPCD） and carboxymethyl-β-cyclodextrin （CMCD）, on the solubility and biodegradation of 2-n...This paper investigated the effects of β-cyclodextrins （I3-CD） and its two derivatives, hydroxypropyl-β-cyclodextrin （HPCD） and carboxymethyl-β-cyclodextrin （CMCD）, on the solubility and biodegradation of 2-nitrophenyl by an A cinetbacter sp. Results showed that β-CD, HPCD and CMCD could not be utilized by A cinetbacter sp. as sole carbon source and none of the CDs had toxic effects on the growth of the bacteria in the experiments; all the CDs could enhance the apparent solubility and accelerate the biodegradation of 2-nitrobipheny. It showed that biodegradation-accelerating effects of CDs on 2-nitrobiphenyl were correlated with their solubility-enhancing effects. Among three CDs investigated, CMCD had the most obvious effects both on the apparent solubility and the biodegradation, followed by β-CD and HPCD.展开更多
The title compound N-（（3-（2-nitrophenyl） propanoyl）oxy）-N-phenylbenzamide（C22H18N2O5,Mr = 390.38） was synthesized with nitrobenzene as the starting materials and structurally characterized by 1H NMR,13 C NMR,I...The title compound N-（（3-（2-nitrophenyl） propanoyl）oxy）-N-phenylbenzamide（C22H18N2O5,Mr = 390.38） was synthesized with nitrobenzene as the starting materials and structurally characterized by 1H NMR,13 C NMR,IR,H RMS（E-SI） and single-crystal X-ray diffraction.The crystalline structure of the title compound was studied in detail.The single-crystal X-ray diffraction revealed that the compound crystallizes in monoclinic,space group P21/n,with a = 14.4481（7）,b = 8.0089（5）,c = 16.6808（9） A,α = 90.00（5）,β = 100.069（5）,γ = 90.00（5）°,Mr = 390.38,V = 1900.46（18） A^3,Z = 4,Dc = 1.364 g/cm^-3,μ = 0.098,F（000） = 816.0,the final R = 0.0530 and w R = 0.1141 for 2525 observed reflections（I 〉 2σ（I））,R（all data） = 0.0813,w R（all data） = 0.1335,completeness to theta of 26.020 is 99.8% and GOF = 1.085.The crystal structure contains three branched chains with its center placed at the midpoint of N.The phenyl ring（C（8）~C（13）） makes a dihedral angle of 83.5（1） ℃ with the phenyl ring（C（1）~C（6））,and 80.5（1） ℃with the nitro-substituted benzene ring（C（17）~C（22））,indicating that the three rings are not coplanar.Hydrogen bonds（C（10）–H（10）···O（3））,（C（15）–H（15B）···O（4） and C（16）–H（16B）···O（4）） together with π-π stacking interactions stabilize the structure of the molecule.The preliminary biological test shows that the title compound has good antitumor activity against A549 in vitro with the IC50 value of 3.17 μmol.展开更多
Novel compounds, （3,6-dichloro-2-nitrophenyl）（3-nitrophenyl）methanone（2）, （2-amino-3,6-dichloro- phenyl）（3-aminophenyl）methanone（3） and 1-[3-（2-amino-3,6-dichlorobenzoyl）phenyl]-1H-pyrrole-2,5-dione（4）...Novel compounds, （3,6-dichloro-2-nitrophenyl）（3-nitrophenyl）methanone（2）, （2-amino-3,6-dichloro- phenyl）（3-aminophenyl）methanone（3） and 1-[3-（2-amino-3,6-dichlorobenzoyl）phenyl]-1H-pyrrole-2,5-dione（4）, were synthesized from the initial compound 2,5-dichlorobenzophenone（1） and characterized by 1H NMR, 13C NMR, IR, mass spectrum and element analysis, respectively. The single crystal of compound 2 was obtained and determined by X-ray diffraction analysis. The single crystal data illustrates that it belongs to the monoclinic system, space group P21/c with a=0.7587（4） nm, b=2.4724（4） nm, c=0.8081（3） nm, α=90°, β=112.85（2）°, γ=90o, V=1.3970（9） nm3, Z=4, Dc=1.622 g/cm3, Mr（C13H6Cl2N2O5）=341.10, μ（Mo Kα）=0.49 mm？1, F（000）=688, the final R=0.048 and wR=0.144 for 1665 observed reflections with I2σ（I）. The title molecule forms a ＂T＂ type crystal structure and the dihedral angel of the two phenyl rings is 65.0（1）°.展开更多
The new title compound 4-chloro-N-（2-（2-nitrophenyl）acetoxy）-N-（m-tolyl）benza- mide （C：2HI7C1N2Os, Mr = 424.82） has been synthesized via the reaction of 4-chloro-N-hydroxy-N- （m-tolyl）benzamide with 2-（2-n...The new title compound 4-chloro-N-（2-（2-nitrophenyl）acetoxy）-N-（m-tolyl）benza- mide （C：2HI7C1N2Os, Mr = 424.82） has been synthesized via the reaction of 4-chloro-N-hydroxy-N- （m-tolyl）benzamide with 2-（2-nitrophenyl）acetyl chloride. The structure of the product was confirmed by 1H NMR, 13C NMR, IR, HRMS （ESI） and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21/c with a = 13.0269（10）, b =6.7251（6）, c = 23.9313（16） A, β = 99.931（6）°, V = 2065.1（3） A3, Z = 4, Dc = 1.366 g/cm3, F（000） = 880,μ = 0.221 mm-1, the final R = 0.0600 and wR = 0.1754 for 1981 observed reflections （I〉 20（/））. X-ray analysis indicates that the chloro-phenyl ring （C（10）℃（15）） and the methyl-substituted benzene ring （C（16）℃（21）） are not coplanar with the nitro-substituted benzene ring （C（1）--C（6））, with the dihedral angle to be 70.78° and 63.72°, respectively. Hydrogen bonds C（2）-H（2）...O（2） and C（7）-H（7B）...O（5） are observed.展开更多
基金The National Natural Science Foundation of China (No. 20077013)
文摘This paper investigated the effects of β-cyclodextrins （I3-CD） and its two derivatives, hydroxypropyl-β-cyclodextrin （HPCD） and carboxymethyl-β-cyclodextrin （CMCD）, on the solubility and biodegradation of 2-nitrophenyl by an A cinetbacter sp. Results showed that β-CD, HPCD and CMCD could not be utilized by A cinetbacter sp. as sole carbon source and none of the CDs had toxic effects on the growth of the bacteria in the experiments; all the CDs could enhance the apparent solubility and accelerate the biodegradation of 2-nitrobipheny. It showed that biodegradation-accelerating effects of CDs on 2-nitrobiphenyl were correlated with their solubility-enhancing effects. Among three CDs investigated, CMCD had the most obvious effects both on the apparent solubility and the biodegradation, followed by β-CD and HPCD.
基金Supported by the Lanzhou Science and Technology Bureau Program Funds(2013-4-79,2014-1-174,2014-1-214)
文摘The title compound N-（（3-（2-nitrophenyl） propanoyl）oxy）-N-phenylbenzamide（C22H18N2O5,Mr = 390.38） was synthesized with nitrobenzene as the starting materials and structurally characterized by 1H NMR,13 C NMR,IR,H RMS（E-SI） and single-crystal X-ray diffraction.The crystalline structure of the title compound was studied in detail.The single-crystal X-ray diffraction revealed that the compound crystallizes in monoclinic,space group P21/n,with a = 14.4481（7）,b = 8.0089（5）,c = 16.6808（9） A,α = 90.00（5）,β = 100.069（5）,γ = 90.00（5）°,Mr = 390.38,V = 1900.46（18） A^3,Z = 4,Dc = 1.364 g/cm^-3,μ = 0.098,F（000） = 816.0,the final R = 0.0530 and w R = 0.1141 for 2525 observed reflections（I 〉 2σ（I））,R（all data） = 0.0813,w R（all data） = 0.1335,completeness to theta of 26.020 is 99.8% and GOF = 1.085.The crystal structure contains three branched chains with its center placed at the midpoint of N.The phenyl ring（C（8）~C（13）） makes a dihedral angle of 83.5（1） ℃ with the phenyl ring（C（1）~C（6））,and 80.5（1） ℃with the nitro-substituted benzene ring（C（17）~C（22））,indicating that the three rings are not coplanar.Hydrogen bonds（C（10）–H（10）···O（3））,（C（15）–H（15B）···O（4） and C（16）–H（16B）···O（4）） together with π-π stacking interactions stabilize the structure of the molecule.The preliminary biological test shows that the title compound has good antitumor activity against A549 in vitro with the IC50 value of 3.17 μmol.
文摘Novel compounds, （3,6-dichloro-2-nitrophenyl）（3-nitrophenyl）methanone（2）, （2-amino-3,6-dichloro- phenyl）（3-aminophenyl）methanone（3） and 1-[3-（2-amino-3,6-dichlorobenzoyl）phenyl]-1H-pyrrole-2,5-dione（4）, were synthesized from the initial compound 2,5-dichlorobenzophenone（1） and characterized by 1H NMR, 13C NMR, IR, mass spectrum and element analysis, respectively. The single crystal of compound 2 was obtained and determined by X-ray diffraction analysis. The single crystal data illustrates that it belongs to the monoclinic system, space group P21/c with a=0.7587（4） nm, b=2.4724（4） nm, c=0.8081（3） nm, α=90°, β=112.85（2）°, γ=90o, V=1.3970（9） nm3, Z=4, Dc=1.622 g/cm3, Mr（C13H6Cl2N2O5）=341.10, μ（Mo Kα）=0.49 mm？1, F（000）=688, the final R=0.048 and wR=0.144 for 1665 observed reflections with I2σ（I）. The title molecule forms a ＂T＂ type crystal structure and the dihedral angel of the two phenyl rings is 65.0（1）°.
基金Supported by the Fundamental Research Funds for the Central Universities(lzujbky-2010-137)Lanzhou Science and Technology Bureau Program Funds(2012-2-90)
文摘The new title compound 4-chloro-N-（2-（2-nitrophenyl）acetoxy）-N-（m-tolyl）benza- mide （C：2HI7C1N2Os, Mr = 424.82） has been synthesized via the reaction of 4-chloro-N-hydroxy-N- （m-tolyl）benzamide with 2-（2-nitrophenyl）acetyl chloride. The structure of the product was confirmed by 1H NMR, 13C NMR, IR, HRMS （ESI） and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21/c with a = 13.0269（10）, b =6.7251（6）, c = 23.9313（16） A, β = 99.931（6）°, V = 2065.1（3） A3, Z = 4, Dc = 1.366 g/cm3, F（000） = 880,μ = 0.221 mm-1, the final R = 0.0600 and wR = 0.1754 for 1981 observed reflections （I〉 20（/））. X-ray analysis indicates that the chloro-phenyl ring （C（10）℃（15）） and the methyl-substituted benzene ring （C（16）℃（21）） are not coplanar with the nitro-substituted benzene ring （C（1）--C（6））, with the dihedral angle to be 70.78° and 63.72°, respectively. Hydrogen bonds C（2）-H（2）...O（2） and C（7）-H（7B）...O（5） are observed.
