The title compound2-p-methyloxyphenyl-3a-（2-phenyl-1,2,3-triazole-4-yl）-3,4- dihydro-1,2,4-oxa-diazolo[4,5-d][1,5] benzothiazepine （C31H25N5O2S, Mr = 531.63） has been synthesized and its structure was determined b...The title compound2-p-methyloxyphenyl-3a-（2-phenyl-1,2,3-triazole-4-yl）-3,4- dihydro-1,2,4-oxa-diazolo[4,5-d][1,5] benzothiazepine （C31H25N5O2S, Mr = 531.63） has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1^- with a = 10.888（2）, b = 15.115（3）, c = 16.702（3）A, α = 99.90（3）, β = 95.21（3）, γ = 100.41（3）°, V = 2642.1（9） nm^3, Dc = 1.336 g/cm^3, Z = 4, F（000） = 1112, μ = 0.162 mm^-1 ,λ（MoKα） = 0.071073 nm, R = 0.0357 and wR = 0.1126 for 10620 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that the molecular backbone consists of a tricyclic system with the central seven- membered ring in a twisted boat-like conformation.展开更多
The crystal of the title compound C, C 30 H 30 N 2O 3S has been prepared by reaction of 1,5 benzothiazepine with N protected glycine and determined by X ray single crystal diffraction. Crystal data:...The crystal of the title compound C, C 30 H 30 N 2O 3S has been prepared by reaction of 1,5 benzothiazepine with N protected glycine and determined by X ray single crystal diffraction. Crystal data: M r =498.62, triclinic with P 1 space group, a=10.880(2), b=13.955(3), c=9.537(2), α=99.34(3)°, β=110.43(3)°, γ=88 56(3)°, V=1338.2(5) 3, F(000)=528, λ (Mo Kα)=0.71073, Z=2, D c =1 237g/cm 3, μ =0.154mm -1 . Final R=0.0453, wR =0.1256 for 3491 observed reflections 〔 I>2σ(I) 〕. Structure analysis reveals that the substituents at C(23) and C(7) in four membered ring are located on the same side. The conformation of seven membered ring is chair like.展开更多
Mass spectrometric behaviour of 2,2a,3,4-tetrahydro-4-methyl-2a-phenyl-2-(thiophen-2-yl)-1H-azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide and 2,3-dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide have been...Mass spectrometric behaviour of 2,2a,3,4-tetrahydro-4-methyl-2a-phenyl-2-(thiophen-2-yl)-1H-azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide and 2,3-dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide have been studied with the aid of mass-analyzed ion kinetic energy spectrometry and accurate mass measurements under electron impact ionization. The monooxide derivatives showed a tendency to eliminate an alkene or an oxygen atom. 1H-Azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide could also eliminate the thiophen-2-ylketene molecule via a reverse [2+2] cycloaddition. 2,3-Dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide could eliminate SO_2 or SO, respectively. The structure of 2,2a,3,4-tetrahydro-4-methyl-2a-phenyl-2-(thiophen-2-yl)-1H-azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide was identified on the basis of its fragmentation. The identification was supported by the fragmentations of model compound, 2,3-dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide.展开更多
A series of novel 1,5-benzothiazepine derivatives containing COOC2H5/COONa groups at the C（2）-position were synthesized and evaluated for their antifungal and antibacterial activities by both disc diffusion and mini...A series of novel 1,5-benzothiazepine derivatives containing COOC2H5/COONa groups at the C（2）-position were synthesized and evaluated for their antifungal and antibacterial activities by both disc diffusion and minimal inhibition concentration （MIC） methods. Most of the compounds have been shown to have moderate to good antibacterial activity against S. aureus, S. epidermidis and excellent antifungal activity against C. albicans.展开更多
The compound(2) (C 24 H 20 NO 2ClS)(see Scheme 1) has been synthesized by reaction of 1, 5 benzothiazepine with chloroacetyl chloride and crystallized in the monoclinic system, space group P2 1/c, a=12.54...The compound(2) (C 24 H 20 NO 2ClS)(see Scheme 1) has been synthesized by reaction of 1, 5 benzothiazepine with chloroacetyl chloride and crystallized in the monoclinic system, space group P2 1/c, a=12.547(3), b=10.614(2), c=15.881(3) , β=105.91(3)°, V=2034.1(10) 3, D c =1.378 g/cm 3, Z=4, F(000)=880, μ (Mo Kα) =0.311 mm -1 , R= 0.0510 and R w =0.0647 for 1953 observed reflections. Structure analysis reveals that the cycloaddition to β lactam is stereospecific reaction, the chloro and phenyl substituents in four membered ring are located on the same side of the nucleus. The conformation of seven membered ring in compound (2) is chair like.展开更多
This paper reports the primary results of the study on β-lactam derivatives of 2,4-diaryl-2, 3-di hydro-1, 5 -benzothiazepines. Five titie compounds have been synthesized, and their configUration and conformation wer...This paper reports the primary results of the study on β-lactam derivatives of 2,4-diaryl-2, 3-di hydro-1, 5 -benzothiazepines. Five titie compounds have been synthesized, and their configUration and conformation were detendned by X-ray crystallographic analysis.展开更多
基金This work was supported by the National Natural Science Foundation of China (No. 29702007 and 20162004)
文摘The title compound2-p-methyloxyphenyl-3a-（2-phenyl-1,2,3-triazole-4-yl）-3,4- dihydro-1,2,4-oxa-diazolo[4,5-d][1,5] benzothiazepine （C31H25N5O2S, Mr = 531.63） has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1^- with a = 10.888（2）, b = 15.115（3）, c = 16.702（3）A, α = 99.90（3）, β = 95.21（3）, γ = 100.41（3）°, V = 2642.1（9） nm^3, Dc = 1.336 g/cm^3, Z = 4, F（000） = 1112, μ = 0.162 mm^-1 ,λ（MoKα） = 0.071073 nm, R = 0.0357 and wR = 0.1126 for 10620 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that the molecular backbone consists of a tricyclic system with the central seven- membered ring in a twisted boat-like conformation.
文摘The crystal of the title compound C, C 30 H 30 N 2O 3S has been prepared by reaction of 1,5 benzothiazepine with N protected glycine and determined by X ray single crystal diffraction. Crystal data: M r =498.62, triclinic with P 1 space group, a=10.880(2), b=13.955(3), c=9.537(2), α=99.34(3)°, β=110.43(3)°, γ=88 56(3)°, V=1338.2(5) 3, F(000)=528, λ (Mo Kα)=0.71073, Z=2, D c =1 237g/cm 3, μ =0.154mm -1 . Final R=0.0453, wR =0.1256 for 3491 observed reflections 〔 I>2σ(I) 〕. Structure analysis reveals that the substituents at C(23) and C(7) in four membered ring are located on the same side. The conformation of seven membered ring is chair like.
文摘Mass spectrometric behaviour of 2,2a,3,4-tetrahydro-4-methyl-2a-phenyl-2-(thiophen-2-yl)-1H-azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide and 2,3-dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide have been studied with the aid of mass-analyzed ion kinetic energy spectrometry and accurate mass measurements under electron impact ionization. The monooxide derivatives showed a tendency to eliminate an alkene or an oxygen atom. 1H-Azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide could also eliminate the thiophen-2-ylketene molecule via a reverse [2+2] cycloaddition. 2,3-Dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide could eliminate SO_2 or SO, respectively. The structure of 2,2a,3,4-tetrahydro-4-methyl-2a-phenyl-2-(thiophen-2-yl)-1H-azeto[2,1-d][1,5]benzothiazepin-1-one-5-oxide was identified on the basis of its fragmentation. The identification was supported by the fragmentations of model compound, 2,3-dihydro-2,4-diphenyl-1,5-benzothiazepine-1-oxide/-1,1-dioxide.
基金support from National Natural Science Foundation of China(No.20772021)the Natural Science Foundation of Hebei Province,China(No.2007000239)
文摘A series of novel 1,5-benzothiazepine derivatives containing COOC2H5/COONa groups at the C（2）-position were synthesized and evaluated for their antifungal and antibacterial activities by both disc diffusion and minimal inhibition concentration （MIC） methods. Most of the compounds have been shown to have moderate to good antibacterial activity against S. aureus, S. epidermidis and excellent antifungal activity against C. albicans.
文摘The compound(2) (C 24 H 20 NO 2ClS)(see Scheme 1) has been synthesized by reaction of 1, 5 benzothiazepine with chloroacetyl chloride and crystallized in the monoclinic system, space group P2 1/c, a=12.547(3), b=10.614(2), c=15.881(3) , β=105.91(3)°, V=2034.1(10) 3, D c =1.378 g/cm 3, Z=4, F(000)=880, μ (Mo Kα) =0.311 mm -1 , R= 0.0510 and R w =0.0647 for 1953 observed reflections. Structure analysis reveals that the cycloaddition to β lactam is stereospecific reaction, the chloro and phenyl substituents in four membered ring are located on the same side of the nucleus. The conformation of seven membered ring in compound (2) is chair like.
文摘This paper reports the primary results of the study on β-lactam derivatives of 2,4-diaryl-2, 3-di hydro-1, 5 -benzothiazepines. Five titie compounds have been synthesized, and their configUration and conformation were detendned by X-ray crystallographic analysis.
