The fused triazole derivatives,which is an important inhibitors of the dipeptidyl peptidase-Ⅳ enzyme(DPP-Ⅳ),can be used for the treatment or prevention of type 2 diabetes.A new fused triazole derivatives of 3-oxo-3-...The fused triazole derivatives,which is an important inhibitors of the dipeptidyl peptidase-Ⅳ enzyme(DPP-Ⅳ),can be used for the treatment or prevention of type 2 diabetes.A new fused triazole derivatives of 3-oxo-3-[3-trifluoromethyl-5,6-dihydro[1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl]-1-phenylpropan-1-amine was synthesized from 2-chloropyrazine and benzaldehyde by hydrazinolysis,trifluoroacetylation,cyclization,hydrogenation,condensation and deprotection reaction.The structures of the compound and its intermediates were determined by IR,NMR,and MS.展开更多
Solid complex of terbium nitrate with a novel tetrapodal ligand, 1,1,1′,1′-tetra(2-pyridinecarboxylester)-di(trimethylpropane) was prepared. This new complex with the formula of [TbL(NO3)](NO3)2·2H2O was charac...Solid complex of terbium nitrate with a novel tetrapodal ligand, 1,1,1′,1′-tetra(2-pyridinecarboxylester)-di(trimethylpropane) was prepared. This new complex with the formula of [TbL(NO3)](NO3)2·2H2O was charact-erized by elemental analysis, molar conductivity, IR spectroscopy and thermal analysis. At the same time, the luminescent property of the complex was also studied.展开更多
The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential s...The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential scanning calorimetry, ac impedance spectroscopy and cyclic voltammertry respectively. The results indicated that the structure symmetry of the molecule was depressed and the extent of charges delocalization was expanded, because of introducing oxygen atom of differential electronegativity in OZO molecule. DSC analysis showed that the LiTFSI-OZO molten salt has the excellent thermal stability and its eutectic temperature is below about 223.15 K. Meanwhile, the conductivity of LiTFSI-OZO molten salt at a molar ratio of 1∶4.5 is 0.75×10 -3 S/cm at 298.15 K and 3.50×10 -3 S/cm at 333.15 K. CV analysis showed that the electrochemical window of the sample is about 4 V.展开更多
本文研究了2-丙醇和1,1,1-三氟-2-丙醇在Ni(100)表面解离的可能微观反应机理,使用完全线性同步和二次同步变换(complete LST/QST)方法确定解离反应的过渡态.采用基于第一性原理的密度泛函理论与周期平板模型相结合的方法,优化了2-丙醇和...本文研究了2-丙醇和1,1,1-三氟-2-丙醇在Ni(100)表面解离的可能微观反应机理,使用完全线性同步和二次同步变换(complete LST/QST)方法确定解离反应的过渡态.采用基于第一性原理的密度泛函理论与周期平板模型相结合的方法,优化了2-丙醇和1,1,1-三氟-2-丙醇裂解反应过程各物种在Ni(100)表面的top,hollow和bridge位的吸附模型,计算了能量,并对布局电荷进行了分析,得到了各物种的有利吸附位.结果表明:2-丙醇和1,1,1-三氟-2-丙醇在Ni(100)表面都存在β-H和γ-H两个平行竞争的解离过程,其中2-丙醇在Ni(100)表面β-H解离的速控步骤活化能为64.7 k J·mol-1猯,而γ-H解离速控步骤活化能为233.1 k J·mol-1猯,故β-H解离过程占优势,主要产物是CH3COCH3;相反,1,1,1-三氟-2-丙醇在Ni(100)表面β-H解离的速控步骤活化能为257.1 k J·mol-1猯,而γ-H解离速控步骤活化能为148.1 k J·mol-1猯,故γ-H解离过程占优势,主要产物是CF3CH=CH2.由此说明,电负性更大的氟原子取代2-丙醇中的氢原子之后,2-丙醇在Ni表面的解离机理发生了改变.理论预测结果与实验结论一致.展开更多
Thermoanalysis study has been carried out on the complex of bis[1 (2 thienyl) 4,4,4 trifluoro butanedione 1,3]copper? and its adducts with pyridine, 2,2′ bipyridine, quinoline and dimethyl sulfoxide in a dynamic nitr...Thermoanalysis study has been carried out on the complex of bis[1 (2 thienyl) 4,4,4 trifluoro butanedione 1,3]copper? and its adducts with pyridine, 2,2′ bipyridine, quinoline and dimethyl sulfoxide in a dynamic nitrogen atmosphere by simultaneous TG DTG DSC technique. The experimental results showed that the decomposition modes of the solvent molecules were various according to the different structures of the complex, in general, the decomposition of them was ahead of the decomposition of the ligand 1 (2 thienyl) 4,4,4 triflurobu tanedione 1,3. Among them the adduct with 2,2 bipyridine showed a quite unique thermal behavior. Several methods have been jointly used to study the kinetics of all the thermal decomposition stages for title compounds, which showed that the evolution of the solvent molecules was controlled mainly by Rn mechanism (or Am mechanism for 2,2 bipyridine adduct) with lower activation energy; while the release of 1 (2 thienyl) 4,4,4 trifluro butane dione 1,3 was gove rned by D2 or D3 mode with higher activation energy.展开更多
研究了三氟甲烷磺酸(HOTf)催化氧化1-茚酮的性能,考察了HOTf、H2O2的用量、反应时间、反应温度和溶剂等几个因素对反应的影响,并与用其它几种质子酸的反应结果进行了比较.研究结果表明,以HOTf为催化剂时反应效果最好,0.1 g 1-茚酮在0.5 ...研究了三氟甲烷磺酸(HOTf)催化氧化1-茚酮的性能,考察了HOTf、H2O2的用量、反应时间、反应温度和溶剂等几个因素对反应的影响,并与用其它几种质子酸的反应结果进行了比较.研究结果表明,以HOTf为催化剂时反应效果最好,0.1 g 1-茚酮在0.5 mL HOTf、0.32 mL 30%H2O2和2 mL 2,2,3,3-四氟-1-丙醇(TFP)体系中,恒温60℃反应4 h,转化率可以达到86%,产物邻羟基苯丙酸的选择性达98%.可能的反应机理是:1-茚酮先经过Baeyer-Villiger反应生成二氢香豆素,后者进一步水解得到邻羟基苯丙酸.展开更多
文摘The fused triazole derivatives,which is an important inhibitors of the dipeptidyl peptidase-Ⅳ enzyme(DPP-Ⅳ),can be used for the treatment or prevention of type 2 diabetes.A new fused triazole derivatives of 3-oxo-3-[3-trifluoromethyl-5,6-dihydro[1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl]-1-phenylpropan-1-amine was synthesized from 2-chloropyrazine and benzaldehyde by hydrazinolysis,trifluoroacetylation,cyclization,hydrogenation,condensation and deprotection reaction.The structures of the compound and its intermediates were determined by IR,NMR,and MS.
文摘Solid complex of terbium nitrate with a novel tetrapodal ligand, 1,1,1′,1′-tetra(2-pyridinecarboxylester)-di(trimethylpropane) was prepared. This new complex with the formula of [TbL(NO3)](NO3)2·2H2O was charact-erized by elemental analysis, molar conductivity, IR spectroscopy and thermal analysis. At the same time, the luminescent property of the complex was also studied.
文摘The new room-temperature molten salt was prepared based on LiTFSI[LiNC(SO 2CF 3) 2] with OZO(C 3H 5NO 2) which were not reported in literature. Its thermal and electrochemical properties were studied by differential scanning calorimetry, ac impedance spectroscopy and cyclic voltammertry respectively. The results indicated that the structure symmetry of the molecule was depressed and the extent of charges delocalization was expanded, because of introducing oxygen atom of differential electronegativity in OZO molecule. DSC analysis showed that the LiTFSI-OZO molten salt has the excellent thermal stability and its eutectic temperature is below about 223.15 K. Meanwhile, the conductivity of LiTFSI-OZO molten salt at a molar ratio of 1∶4.5 is 0.75×10 -3 S/cm at 298.15 K and 3.50×10 -3 S/cm at 333.15 K. CV analysis showed that the electrochemical window of the sample is about 4 V.
文摘本文研究了2-丙醇和1,1,1-三氟-2-丙醇在Ni(100)表面解离的可能微观反应机理,使用完全线性同步和二次同步变换(complete LST/QST)方法确定解离反应的过渡态.采用基于第一性原理的密度泛函理论与周期平板模型相结合的方法,优化了2-丙醇和1,1,1-三氟-2-丙醇裂解反应过程各物种在Ni(100)表面的top,hollow和bridge位的吸附模型,计算了能量,并对布局电荷进行了分析,得到了各物种的有利吸附位.结果表明:2-丙醇和1,1,1-三氟-2-丙醇在Ni(100)表面都存在β-H和γ-H两个平行竞争的解离过程,其中2-丙醇在Ni(100)表面β-H解离的速控步骤活化能为64.7 k J·mol-1猯,而γ-H解离速控步骤活化能为233.1 k J·mol-1猯,故β-H解离过程占优势,主要产物是CH3COCH3;相反,1,1,1-三氟-2-丙醇在Ni(100)表面β-H解离的速控步骤活化能为257.1 k J·mol-1猯,而γ-H解离速控步骤活化能为148.1 k J·mol-1猯,故γ-H解离过程占优势,主要产物是CF3CH=CH2.由此说明,电负性更大的氟原子取代2-丙醇中的氢原子之后,2-丙醇在Ni表面的解离机理发生了改变.理论预测结果与实验结论一致.
文摘Thermoanalysis study has been carried out on the complex of bis[1 (2 thienyl) 4,4,4 trifluoro butanedione 1,3]copper? and its adducts with pyridine, 2,2′ bipyridine, quinoline and dimethyl sulfoxide in a dynamic nitrogen atmosphere by simultaneous TG DTG DSC technique. The experimental results showed that the decomposition modes of the solvent molecules were various according to the different structures of the complex, in general, the decomposition of them was ahead of the decomposition of the ligand 1 (2 thienyl) 4,4,4 triflurobu tanedione 1,3. Among them the adduct with 2,2 bipyridine showed a quite unique thermal behavior. Several methods have been jointly used to study the kinetics of all the thermal decomposition stages for title compounds, which showed that the evolution of the solvent molecules was controlled mainly by Rn mechanism (or Am mechanism for 2,2 bipyridine adduct) with lower activation energy; while the release of 1 (2 thienyl) 4,4,4 trifluro butane dione 1,3 was gove rned by D2 or D3 mode with higher activation energy.
文摘研究了三氟甲烷磺酸(HOTf)催化氧化1-茚酮的性能,考察了HOTf、H2O2的用量、反应时间、反应温度和溶剂等几个因素对反应的影响,并与用其它几种质子酸的反应结果进行了比较.研究结果表明,以HOTf为催化剂时反应效果最好,0.1 g 1-茚酮在0.5 mL HOTf、0.32 mL 30%H2O2和2 mL 2,2,3,3-四氟-1-丙醇(TFP)体系中,恒温60℃反应4 h,转化率可以达到86%,产物邻羟基苯丙酸的选择性达98%.可能的反应机理是:1-茚酮先经过Baeyer-Villiger反应生成二氢香豆素,后者进一步水解得到邻羟基苯丙酸.
