Three benzoxazole corrosion inhibitors, namely 2-(benzo [d]oxazol-2-yl)phenol (BOP), 6-(benzo [d]oxazol-2-yl)pyridin-2-ol (BOPO), and 2-(quinolin-2-yl) benzo [d]oxazole (QBO), were synthesized. Moreover, their corrosi...Three benzoxazole corrosion inhibitors, namely 2-(benzo [d]oxazol-2-yl)phenol (BOP), 6-(benzo [d]oxazol-2-yl)pyridin-2-ol (BOPO), and 2-(quinolin-2-yl) benzo [d]oxazole (QBO), were synthesized. Moreover, their corrosion inhibition performance for N80 steel in 1 M HCl solution at 303 K was measured by the electrochemical measurements and surface analysis studies. The results show that the inhibition efficiency of all corrosion inhibitors increases with the increase of concentration. At the same concentration, the order of inhibition efficiency is BOP < BOPO < QBO. Moreover, the studied inhibitors act as mixed-type inhibitors, and the adsorption of all inhibitors on N80 steel followed the Langmuir adsorption isotherm. Further, we have examined the effect of iodide ions on inhibition efficiency. The results show that BOP and KI are synergistic, BOPO and QBO are competitive adsorptions with KI. The quantum chemical parameters such as highest occupied molecular orbital, lowest unoccupied molecular orbital energy levels, and energy gap were calculated by the density functional theory (DTF). The relations between the inhibition efficiency and some quantum parameters have been discussed. The protective effect of the three inhibitors followed the sequence of BOP < BOPO < QBO. The results obtained from quantum chemicals and electrochemical were in reasonable agreement.展开更多
Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR...Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR and IR.Among them,the crystal structures of compounds 1 and 3 were also determined by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a=0.66725(4),b=1.04750(7),c=1.61138(10)nm,β=93.884(2)o,V=1.12368(12)nm3,Z=4,Dc=1.314 g/cm3,μ=0.085 mm-1,F(000)=464,R=0.0731 and wR=0.2412.Compound 3 crystallizes in monoclinic system,P21/c space group with a=0.6585(7),b=1.3840(7),c=2.5364(6)nm,β=103.4220(4)o,V=2.249(3)nm3,Z=8,Dc=1.313 g/cm3,μ=0.085 mm-1,F(000)=928,R=0.0584 and wR=0.1151.The three compounds were screened for their antitumor activities against the human cancer HepG2 cells in vitro by MTT assay.All compounds could inhibit the proliferation of HepG2 cells,whose IC50 values are 87.7,9.6 and 33.5μmol/L for compounds 1,2 and 3,respectively.Most noticeably of all,the inhibition rate of complex 2 was up to 85%at 100μmol/L.展开更多
文摘Three benzoxazole corrosion inhibitors, namely 2-(benzo [d]oxazol-2-yl)phenol (BOP), 6-(benzo [d]oxazol-2-yl)pyridin-2-ol (BOPO), and 2-(quinolin-2-yl) benzo [d]oxazole (QBO), were synthesized. Moreover, their corrosion inhibition performance for N80 steel in 1 M HCl solution at 303 K was measured by the electrochemical measurements and surface analysis studies. The results show that the inhibition efficiency of all corrosion inhibitors increases with the increase of concentration. At the same concentration, the order of inhibition efficiency is BOP < BOPO < QBO. Moreover, the studied inhibitors act as mixed-type inhibitors, and the adsorption of all inhibitors on N80 steel followed the Langmuir adsorption isotherm. Further, we have examined the effect of iodide ions on inhibition efficiency. The results show that BOP and KI are synergistic, BOPO and QBO are competitive adsorptions with KI. The quantum chemical parameters such as highest occupied molecular orbital, lowest unoccupied molecular orbital energy levels, and energy gap were calculated by the density functional theory (DTF). The relations between the inhibition efficiency and some quantum parameters have been discussed. The protective effect of the three inhibitors followed the sequence of BOP < BOPO < QBO. The results obtained from quantum chemicals and electrochemical were in reasonable agreement.
基金Supported by the National Key R&D Program of China(2016YFD0600804)Natural Scientific Foundation of Jiangsu Province(No.BK20160922)+2 种基金National Natural Scientific Foundation of China(No.21606133)the Open Fund of Jiangsu Key Lab of Biomass-based Green Fuels and Chemicals(JSBGFC12002)SPITP(201710298006Z)
文摘Three novel benzoxazole derivatives based on the pyridyl group were designed and synthesized from 2-methylbenzoxazole and three different types of pyridylaldehyde.Their structures were confirmed by HRMS,1H NMR,13C NMR and IR.Among them,the crystal structures of compounds 1 and 3 were also determined by single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a=0.66725(4),b=1.04750(7),c=1.61138(10)nm,β=93.884(2)o,V=1.12368(12)nm3,Z=4,Dc=1.314 g/cm3,μ=0.085 mm-1,F(000)=464,R=0.0731 and wR=0.2412.Compound 3 crystallizes in monoclinic system,P21/c space group with a=0.6585(7),b=1.3840(7),c=2.5364(6)nm,β=103.4220(4)o,V=2.249(3)nm3,Z=8,Dc=1.313 g/cm3,μ=0.085 mm-1,F(000)=928,R=0.0584 and wR=0.1151.The three compounds were screened for their antitumor activities against the human cancer HepG2 cells in vitro by MTT assay.All compounds could inhibit the proliferation of HepG2 cells,whose IC50 values are 87.7,9.6 and 33.5μmol/L for compounds 1,2 and 3,respectively.Most noticeably of all,the inhibition rate of complex 2 was up to 85%at 100μmol/L.
