Methyluracil and 5-nitro-6-methyluracil react with variable molar quantities of benzoyl chloride in acetonitrile-pyridine at room temperature to give 1-N, 3-N-dibenzoyl-6- methyluracil 3b and 1-N-benzoyl-5-nitro-6-met...Methyluracil and 5-nitro-6-methyluracil react with variable molar quantities of benzoyl chloride in acetonitrile-pyridine at room temperature to give 1-N, 3-N-dibenzoyl-6- methyluracil 3b and 1-N-benzoyl-5-nitro-6-methyluracil 4b. The reactive rates of debenzoylation of 3b and 4b were investigated.展开更多
Acetylation and benzoylation reactions of certain aromatic aldehydes, ketones with Vilsmeier-Haack Re- agents using Acetamide and Oxychloride (SOCl2 or POCl3) under conventional (thermal) and non conven- tional [micro...Acetylation and benzoylation reactions of certain aromatic aldehydes, ketones with Vilsmeier-Haack Re- agents using Acetamide and Oxychloride (SOCl2 or POCl3) under conventional (thermal) and non conven- tional [microwave irradiated (MIR), ultrasonic assisted and solvent free mortar pestle (grinding)] conditions. Reactions afforded good to excellent yields of products with both the VH reagents, reaction times were fairly less in the case of [amide/POCl3] than those of [amide/SOCl2] reagent. Reactions are dramatically acceler- ated in under sonicated and microwave irradiations with a trend: MIR (few seconds) >> Sonication (minutes) > Grinding (min) >> thermal (several hrs).展开更多
Superacid ZrO_2:H_2SO_4 showed high activity in Friedel-Crafts benzoylation of benzene and substituted benzenes such an chlorobenzene,toluene and 1,3,5-trimethylbenzene.Benzophenones in 90-100% yields were obtained wi...Superacid ZrO_2:H_2SO_4 showed high activity in Friedel-Crafts benzoylation of benzene and substituted benzenes such an chlorobenzene,toluene and 1,3,5-trimethylbenzene.Benzophenones in 90-100% yields were obtained with catalytic amount of superacid ZrO_2:H_2SO_4.The calcination temperature greatly influenced the acid strength and activity of the superacid ZrO_2:H_2SO_4.The superacid has both Lewis and Bronsted acid sites.The reversibility of Friedel-Crafts benzoylation and transacylation were observed over the superacid.The used superacid could be readily regenerated and showed identical benzoylation activity to toluene.展开更多
The authors regret that the acceptable daily intake(ADI)values of 0.082 μg·kg^(-1)·d^(-1) for N,N-diethyl-3-methyl benzoyl amide(DEET),0.19 μg·kg^(-1)·d^(-1) for triclosan,and 0.83 μg·kg^(-...The authors regret that the acceptable daily intake(ADI)values of 0.082 μg·kg^(-1)·d^(-1) for N,N-diethyl-3-methyl benzoyl amide(DEET),0.19 μg·kg^(-1)·d^(-1) for triclosan,and 0.83 μg·kg^(-1)·d^(-1) for acetaminophen cited from a review by Murray et al.[1],as shown in Table S4 in Appendix A of the original article,were not correct.展开更多
A simple reversed phase HPLC method was developed for the determination of Putrescine, Cadaverine and Spermidine (a class of polyamines) in their benzoylated form from external known standards. In the optimization pro...A simple reversed phase HPLC method was developed for the determination of Putrescine, Cadaverine and Spermidine (a class of polyamines) in their benzoylated form from external known standards. In the optimization procedure, a number of parameters were examined: 1) Solvent used in the extraction of standard polyamines (diethyl ether versus chloroform);2) Solvent used in the elution of the polyamine (methanol versus acetonitrile);3) Mode of derivatization and extraction step(s) (derivatization and extraction performed together versus derivatization and extraction performed separately);and 4) Other instrumental parameters (such as UV detection wavelength, gradient profiles). The advantages of our method, relative to the standard Morgan method are: a) decreased chromatographic runtime, b) ease of preparation with good resolution, sensitivity, and reproducibility using a standard RP-HPLC method.展开更多
A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 ...A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 5660(3) nm, c =1 3512(3) nm, α=90 00°, β=94 39(1)°, γ=90 00°, V =3 6037(12) nm 3, Z =4 . The complex is a ten-coordinated one with a lanthanum ion surrounded by a N 4O 6 set. The crystal structure is stabilized by hydrogen bonds between water molecules and NO - 3 anions.展开更多
Systematic studies of the thermal decomposition mechanism of benzoyl peroxide(BPO) in ground state, leading to various intermediates, products and the potential energy surface(PES) of possible dissociation reactions w...Systematic studies of the thermal decomposition mechanism of benzoyl peroxide(BPO) in ground state, leading to various intermediates, products and the potential energy surface(PES) of possible dissociation reactions were made computationally. The structures of the transition states and the activation energies for all the paths causing the formation of the reaction products mentioned above were calculated by the AM1 semi-empirical method. This method is shown to to be one predict correctly the preferred pathway for the title reaction. It has been found that in ground state, the thermal decomposition of benzoyl peroxide has two kinds of paths. The first pathway PhC(O)O-OC(O)Ph→PhC(O)O · →Ph · +CO 2 produces finally phenyl radicals and carbon dioxide. And the second pathway PhC(O)OO-C(O)Ph→PhC(O)OO · +PhC(O) · → PhC(O) · +O 2 →Ph · +CO+O 2, via which the reaction takes place only in two steps, produces oxygen and PhC(O) · radicals, and the further thermal dissociation of PhC(O) · is quite difficult because of the high activation energy in ground state. The calculated activation energies and reaction enthalpies are in good agreement with the experimental values. The research results also show that also the thermal dissociation process of the two bonds or the three bonds for the benzoyl peroxide doesn′t take place in ground state.展开更多
A series of novel derivatives of ligustrazine linked with substituted benzoyl guanidine were synthesized. These compounds have not been reported in literature, and their chemical structures were confirmed by IR, ^1H N...A series of novel derivatives of ligustrazine linked with substituted benzoyl guanidine were synthesized. These compounds have not been reported in literature, and their chemical structures were confirmed by IR, ^1H NMR and MS. The results of NHE1 inhibitory activity test showed that compounds I2, I3, I4, I6, and I7 possess more potent NHE1 inhibitory activity than cariporide.展开更多
The polystyrenylphosphonous acid (PSPA) of low polymerization degree was prepared with one step reaction. The reaction mechanism was changed with different initiators. For the reaction with AIBN or BPO as the initia...The polystyrenylphosphonous acid (PSPA) of low polymerization degree was prepared with one step reaction. The reaction mechanism was changed with different initiators. For the reaction with AIBN or BPO as the initiator, there are 2 or 3 series of radical reaction chains and 5 or 9 series of polystyrenyl products. The main products are PSPA without or with the fragment of the initiator H[CH(C6H5)-CH2]n-PO2H2 and C6H5CO2-[CH2CH (C6H5)]n-PO2H2 respectively.展开更多
Heterocyclic ketene aminals 1 react with aryl azides 2 to give the titled compounds 3,and in some cases also with the formation of fused heterocycles 4.
A series of subshtuted 3'-N-benzoyl taxol analogs [7a￣i] were synthesized by Schotten-Baumann acylation of the key intermediate, 13-O-[(2'R, 3' S) -3'-phenylisoserinoyl]baccatin Ⅲ[6]. Evaluation of t...A series of subshtuted 3'-N-benzoyl taxol analogs [7a￣i] were synthesized by Schotten-Baumann acylation of the key intermediate, 13-O-[(2'R, 3' S) -3'-phenylisoserinoyl]baccatin Ⅲ[6]. Evaluation of the newly ￣ derivatives for cytotoxicity against KB Cell line revealed that electrondon-donating groups at the para position (such as -CH3, -OCH3, etc.) havepositive effect on achvity, while electron-attracting groups(such as -NO2, -Br, etc.) have negativeeffect. Sterically hindered substituents at the ortho position could dramatically reduce the activity.But none of the analogs had higher cytotoxicity than taxol.展开更多
Dimerization Constant of 6-O-benzoyl-β-CD,which is insoluble in water,was determined for the first time by a calculation method involving an approximation step as well as a geometric step.This calculation method can ...Dimerization Constant of 6-O-benzoyl-β-CD,which is insoluble in water,was determined for the first time by a calculation method involving an approximation step as well as a geometric step.This calculation method can be applied to other functionally modified cyclodextrin host compounds.展开更多
Three crystal architectures, including one organic compound of benzoyl peroxide（Ⅰ） and two clusters of tri-iron（Ⅲ） and bi-cupper（Ⅱ） with benzoic ligands（2 and 3）, were self-assembled by an in situ redox way...Three crystal architectures, including one organic compound of benzoyl peroxide（Ⅰ） and two clusters of tri-iron（Ⅲ） and bi-cupper（Ⅱ） with benzoic ligands（2 and 3）, were self-assembled by an in situ redox way of benzoyl peroxide oxidants reacting with Mo, Fe and Cu powders, respectively. X-ray crystallographic results show that both the asymmetry tri-iron（Ⅲ） cluster and the benzoylperoxide crystal architecture（2 and 1） with complicated 3D networks were constructed by intermolecular hydrogen-bonding interactions. Contrarily, the symmetrical bi-copper（Ⅱ） cluster crystal architecture（3）, only with π-π stacking between paralleled phenyl groups and without any intermolecular hydrogen-bonding interactions, only presented an 1D zigzag chain along the a-axis.展开更多
The effect of benzoyl peroxide （BPO） on polypropylene （PP） degradation in supercritical water was investigated with the aim of developing a process for recycling of waste plastics. A series of experiments with and...The effect of benzoyl peroxide （BPO） on polypropylene （PP） degradation in supercritical water was investigated with the aim of developing a process for recycling of waste plastics. A series of experiments with and without BPO were carried out at temperatures of 653 K and 673 K under pressure about 26 MPa for 30, 75 and 120 min respectively. Products were analyzed by an Ostward-type viscometer, gas chromatography and spectrometry （GC/MS） etc. The results indicated that mean molecular weight of the samples decreased greatly along with the time elapsing or with the temperature increasing, and PP was decomposed to Miphatic and cycloparaftinic hydrocarbons but a few benzenoid hydrocarbons. By comparing the experiments with and without BPO, it was made clear that BPO is an effective additive on PP degradation in supercritical water.展开更多
The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C...The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C-NMR spectroscopy and elemental analysis. These experimental studies were supported by quantum mechanical calculations. The structure was solved in monoclinic, space group P21/c with a = 9.573（3）, b = 19.533（7）, c = 9.876（3）, β = 92.35（4）°, V = 1845.2（10）3, T = 85（2） K, Z = 4, R = 0.040 and wR = 0.089 for 6424 observed reflections with I2σ（I）.展开更多
Rare earth chelates of benzoyl urea derivatives were prepared in ethanol and fluorescence spectra of these chelates were studied in detail. A composition of [RE(BU)_3Phen] (NO_3)_3 was obtained. Correlation between ch...Rare earth chelates of benzoyl urea derivatives were prepared in ethanol and fluorescence spectra of these chelates were studied in detail. A composition of [RE(BU)_3Phen] (NO_3)_3 was obtained. Correlation between chemical properties of ligands, chelates and spectroscopy was discussed. Intramolecular energy transfer in rare earth chelates was explained.展开更多
基金We thank the National Natural Science Foundation of China(NO．20172007)for financial support
文摘Methyluracil and 5-nitro-6-methyluracil react with variable molar quantities of benzoyl chloride in acetonitrile-pyridine at room temperature to give 1-N, 3-N-dibenzoyl-6- methyluracil 3b and 1-N-benzoyl-5-nitro-6-methyluracil 4b. The reactive rates of debenzoylation of 3b and 4b were investigated.
文摘Acetylation and benzoylation reactions of certain aromatic aldehydes, ketones with Vilsmeier-Haack Re- agents using Acetamide and Oxychloride (SOCl2 or POCl3) under conventional (thermal) and non conven- tional [microwave irradiated (MIR), ultrasonic assisted and solvent free mortar pestle (grinding)] conditions. Reactions afforded good to excellent yields of products with both the VH reagents, reaction times were fairly less in the case of [amide/POCl3] than those of [amide/SOCl2] reagent. Reactions are dramatically acceler- ated in under sonicated and microwave irradiations with a trend: MIR (few seconds) >> Sonication (minutes) > Grinding (min) >> thermal (several hrs).
文摘Superacid ZrO_2:H_2SO_4 showed high activity in Friedel-Crafts benzoylation of benzene and substituted benzenes such an chlorobenzene,toluene and 1,3,5-trimethylbenzene.Benzophenones in 90-100% yields were obtained with catalytic amount of superacid ZrO_2:H_2SO_4.The calcination temperature greatly influenced the acid strength and activity of the superacid ZrO_2:H_2SO_4.The superacid has both Lewis and Bronsted acid sites.The reversibility of Friedel-Crafts benzoylation and transacylation were observed over the superacid.The used superacid could be readily regenerated and showed identical benzoylation activity to toluene.
文摘The authors regret that the acceptable daily intake(ADI)values of 0.082 μg·kg^(-1)·d^(-1) for N,N-diethyl-3-methyl benzoyl amide(DEET),0.19 μg·kg^(-1)·d^(-1) for triclosan,and 0.83 μg·kg^(-1)·d^(-1) for acetaminophen cited from a review by Murray et al.[1],as shown in Table S4 in Appendix A of the original article,were not correct.
文摘A simple reversed phase HPLC method was developed for the determination of Putrescine, Cadaverine and Spermidine (a class of polyamines) in their benzoylated form from external known standards. In the optimization procedure, a number of parameters were examined: 1) Solvent used in the extraction of standard polyamines (diethyl ether versus chloroform);2) Solvent used in the elution of the polyamine (methanol versus acetonitrile);3) Mode of derivatization and extraction step(s) (derivatization and extraction performed together versus derivatization and extraction performed separately);and 4) Other instrumental parameters (such as UV detection wavelength, gradient profiles). The advantages of our method, relative to the standard Morgan method are: a) decreased chromatographic runtime, b) ease of preparation with good resolution, sensitivity, and reproducibility using a standard RP-HPLC method.
基金Supported by the National Natural Science Foundation of China( No. 2 98710 14 ) and the Foundation of Doctor byL anzhou U niversit
文摘A novel La complex with methyl-2-pyridyl ketone benzoyl hydrazone has been synthesized and determined by single crystal X-ray diffraction. The crystal is monoclinic with space group C2/c, a =1 7081(3) nm, b =1 5660(3) nm, c =1 3512(3) nm, α=90 00°, β=94 39(1)°, γ=90 00°, V =3 6037(12) nm 3, Z =4 . The complex is a ten-coordinated one with a lanthanum ion surrounded by a N 4O 6 set. The crystal structure is stabilized by hydrogen bonds between water molecules and NO - 3 anions.
基金Supported by National NaturalScienceFoundation of China( No.2 97730 0 7) and the NaturalScienceFoundation of Qu-jing Normal College( No.2 0 0 0 0 9)
文摘Systematic studies of the thermal decomposition mechanism of benzoyl peroxide(BPO) in ground state, leading to various intermediates, products and the potential energy surface(PES) of possible dissociation reactions were made computationally. The structures of the transition states and the activation energies for all the paths causing the formation of the reaction products mentioned above were calculated by the AM1 semi-empirical method. This method is shown to to be one predict correctly the preferred pathway for the title reaction. It has been found that in ground state, the thermal decomposition of benzoyl peroxide has two kinds of paths. The first pathway PhC(O)O-OC(O)Ph→PhC(O)O · →Ph · +CO 2 produces finally phenyl radicals and carbon dioxide. And the second pathway PhC(O)OO-C(O)Ph→PhC(O)OO · +PhC(O) · → PhC(O) · +O 2 →Ph · +CO+O 2, via which the reaction takes place only in two steps, produces oxygen and PhC(O) · radicals, and the further thermal dissociation of PhC(O) · is quite difficult because of the high activation energy in ground state. The calculated activation energies and reaction enthalpies are in good agreement with the experimental values. The research results also show that also the thermal dissociation process of the two bonds or the three bonds for the benzoyl peroxide doesn′t take place in ground state.
文摘A series of novel derivatives of ligustrazine linked with substituted benzoyl guanidine were synthesized. These compounds have not been reported in literature, and their chemical structures were confirmed by IR, ^1H NMR and MS. The results of NHE1 inhibitory activity test showed that compounds I2, I3, I4, I6, and I7 possess more potent NHE1 inhibitory activity than cariporide.
文摘The polystyrenylphosphonous acid (PSPA) of low polymerization degree was prepared with one step reaction. The reaction mechanism was changed with different initiators. For the reaction with AIBN or BPO as the initiator, there are 2 or 3 series of radical reaction chains and 5 or 9 series of polystyrenyl products. The main products are PSPA without or with the fragment of the initiator H[CH(C6H5)-CH2]n-PO2H2 and C6H5CO2-[CH2CH (C6H5)]n-PO2H2 respectively.
文摘Heterocyclic ketene aminals 1 react with aryl azides 2 to give the titled compounds 3,and in some cases also with the formation of fused heterocycles 4.
文摘A series of subshtuted 3'-N-benzoyl taxol analogs [7a￣i] were synthesized by Schotten-Baumann acylation of the key intermediate, 13-O-[(2'R, 3' S) -3'-phenylisoserinoyl]baccatin Ⅲ[6]. Evaluation of the newly ￣ derivatives for cytotoxicity against KB Cell line revealed that electrondon-donating groups at the para position (such as -CH3, -OCH3, etc.) havepositive effect on achvity, while electron-attracting groups(such as -NO2, -Br, etc.) have negativeeffect. Sterically hindered substituents at the ortho position could dramatically reduce the activity.But none of the analogs had higher cytotoxicity than taxol.
文摘Dimerization Constant of 6-O-benzoyl-β-CD,which is insoluble in water,was determined for the first time by a calculation method involving an approximation step as well as a geometric step.This calculation method can be applied to other functionally modified cyclodextrin host compounds.
基金Supported by the National Natural Science Foundation of China(No.20771073)
文摘Three crystal architectures, including one organic compound of benzoyl peroxide（Ⅰ） and two clusters of tri-iron（Ⅲ） and bi-cupper（Ⅱ） with benzoic ligands（2 and 3）, were self-assembled by an in situ redox way of benzoyl peroxide oxidants reacting with Mo, Fe and Cu powders, respectively. X-ray crystallographic results show that both the asymmetry tri-iron（Ⅲ） cluster and the benzoylperoxide crystal architecture（2 and 1） with complicated 3D networks were constructed by intermolecular hydrogen-bonding interactions. Contrarily, the symmetrical bi-copper（Ⅱ） cluster crystal architecture（3）, only with π-π stacking between paralleled phenyl groups and without any intermolecular hydrogen-bonding interactions, only presented an 1D zigzag chain along the a-axis.
基金Supported by the National Natural Science Foundation of China (No.59972022).
文摘The effect of benzoyl peroxide （BPO） on polypropylene （PP） degradation in supercritical water was investigated with the aim of developing a process for recycling of waste plastics. A series of experiments with and without BPO were carried out at temperatures of 653 K and 673 K under pressure about 26 MPa for 30, 75 and 120 min respectively. Products were analyzed by an Ostward-type viscometer, gas chromatography and spectrometry （GC/MS） etc. The results indicated that mean molecular weight of the samples decreased greatly along with the time elapsing or with the temperature increasing, and PP was decomposed to Miphatic and cycloparaftinic hydrocarbons but a few benzenoid hydrocarbons. By comparing the experiments with and without BPO, it was made clear that BPO is an effective additive on PP degradation in supercritical water.
基金supported by Urmia Branch,Islamic Azad University
文摘The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C-NMR spectroscopy and elemental analysis. These experimental studies were supported by quantum mechanical calculations. The structure was solved in monoclinic, space group P21/c with a = 9.573（3）, b = 19.533（7）, c = 9.876（3）, β = 92.35（4）°, V = 1845.2（10）3, T = 85（2） K, Z = 4, R = 0.040 and wR = 0.089 for 6424 observed reflections with I2σ（I）.
文摘Rare earth chelates of benzoyl urea derivatives were prepared in ethanol and fluorescence spectra of these chelates were studied in detail. A composition of [RE(BU)_3Phen] (NO_3)_3 was obtained. Correlation between chemical properties of ligands, chelates and spectroscopy was discussed. Intramolecular energy transfer in rare earth chelates was explained.
