Synthesis and Crystal Structure of N-phenyl-N-[(o-nitrophenylacetyl)oxy]benzamide

The compound N-phenyl-N-[（o-nitrophenylacetyl）oxy]benzamide （C21HI6N2Os, Mr = 376） has been synthesized by the reaction of N-hydroxy-N-phenylbenzamide with 2-（2-nitro- phenyl）acetyl chloride in dichlorom-ethane and its structure Was characterized by 1H NMR, 13C NMR, IR, H RMS（ESI） and single-crystal X-ray diffraction. The crystal of the title compound belongs to monoclinic, space group C2/c with a = 32.30（2）, b = 8.400（5）, c = 15.099（9） A, fl = 114.256（10）°, V = 3735（4） A3, Z = 8, D, = 1.339 g/cm3, F（000） = 1568, p = 0.097 mm-1, the final R = 0.0506 and wR = 0.1176 for 2318 observed reflections （1 〉 2a（/））. The title molecule contains three branched chains with its center placed at the midpoint of N. The phenyl ring （C（1）＇-C（6）） makes a dihedral angle of 70.3（1）° with the phenyl ring （C（10）-C（15）） of benzoyl group, and 14.3（1）° with the phenyl ring （C（16） - C（21））, Hydrogen bonds C（5）-H（5）...O（1） and C（12）-H（12）...O（3） together with it-Jr stacking interactions contribute to the stability of the structure.

苯甲酰胺（Benzamide）对大麦辐射损伤的影响

本试验以苯甲酰胺和６０Ｃｏ—γ射线复合处理大麦种子，研究了其诱变效果。结果表明：苯甲酰胺没有诱变作用。辐射和苯甲酰胺复合处理，对大麦的出苗率、成株率、结实率、株高及苗高、Ｍ１根尖细胞染色体和花粉母细胞染色体畸变均有明显的影响，即苯甲酰胺加重了Ｍ１的损伤。同时还表明，在较低的照射剂量下，苯甲酰胺的修复抑制效果较好。本试验修复抑制效果最佳处理为２２０Ｇｙ＋１０ｍｍｏｌ／Ｌ。

苯甲酰胺(Benzamide)对大麦辐射损伤修复抑制及遗传效应的研究

本试验以大麦“吉农８７－９号”风干种子为材料，用不同剂量＾６０Ｃｏγ－射线处理后，再用苯甲酰胺（浓度为０、５、１０ｍＮ）处理，研究其诱变效应。结果表明：苯甲酰胺无诱变作用，但与γ－射线复合处理诱变效应优于γ－射线单因子处理。苯甲酰胺加重了Ｍ１辐射损伤，提高了Ｍ２突变频率。因此，在诱变育种中苯甲酰胺可作为有效的修复抑制剂加以利用。在较低的照射剂量下，苯甲酰胺修复抑制效果较好。

Synthesis, Crystal Structure and Antitumor Activity of N-[5-(Benzylthio)-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide

The title compound N-[5-（benzylthio）-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide（C（16）H（12）ClN3OS2, Mr = 361.86） was designed and synthesized as anticancer agent, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 5.7417（10）, b = 9.8057（17）, c = 14.330（3） A, a = 91.987（3）, b = 97.154（3）, γ = 93.402（3）°, V = 798.4（2） A3, Z = 2, Dc = 1.505 g/cm^3, μ = 0.507 mm-1） F（000） = 372, the final R = 0.0481 and wR = 0.1290 for 2064 observed reflections with I 〉 2s（I）. In the crystal packing, the molecules form stacks by a three-dimensional framework, which results from intermolecular N（1）-H（1）···N（2） and C（5）-H（5）···N（3） hydrogen bonds together with π-π stacking interactions between the thiadiazole and chlorobenzene rings. The title compound was found to exhibit more potent in vitro antitumor activities against the four tested cancer cell lines than sorafenib.

Synthesis and Bacteriostatic Activity and Antifouling Capability of Benzamide Derivatives Containing Capsaicin

Five benzamide deriatives containing capsaicin were synthesized which have similar structures to capsaicin. Their yield was high. The monomers synthesized were characterized by IR, 1H NMR and MS spectroscopy. Cha-racterization data are in agreement with the proposed structures of the products. These five compounds exhibit bacterial inhibition and N-[4-hydroxy-2-methyl-5-（methylthio）benzyl]benzamide（HMMBBA）, for instance, shows that the minimal inhibitory concentrations（MIC） of HMMBBA are 0.125 and 0.25 mg/mL on Staphyloccocus aureus and Escherichia coli, respectively. A static test site was set up in the eighth harbor to investigate the antifouling effectiveness of the five new antifoulants. Five-month exposure experiments were performed on sets of panels coated with each of antifouling coatings, and the results were compared to that of the test panel without antifouling coating. Test boards with antifouling coating were covered with just a macroscopic fouling organism such as Balanus. The results of the present paper demonstrate that new antifoulants represent an alternative to the biocidal antifouling paint.

Crystal and Molecular Structure of Bis-N,N’(dithiodi-2,1-phennylene)benzamide

The crystal structure of the title compound ((C 6H 5CONC 6H 4S) 2, M r =229) has been determined by X ray diffraction analysis. The crystal belongs to triclinic space group P 1 with cell parameters: a=7.957(4), b=11.570(7), c=12 335(6), α=76.68(4), β=81.48(4), γ=87.26(4)°, V=1092.9 3, Z=2, D c =1 39g/cm 3, F(000)=476, μ (Mo Kα )=2.7mm -1 . The final R factor is 0.0373 for 3764 observed reflections. The result of X ray diffraction analysis indicates that all of these single bond lengths are obviously shorter than that of standard single bond. Those atoms might take part in a conjugate system. The electrons for sp 3 hybridized S(1) and S(2) move toward two sides and the densities of electronic cloud among them are reduced and can be easily broken. The obtained results can explain the reaction mechanism of the title compound.

Synthesis, Characterization and X-ray Crystal Structure of 4-Fluoro-N-(2-methyl-5-((2-(p-tolyloxy)acetamido)- methyl)pyrimidin-4-yl)benzamide

A new crystal of 4-fluoro-N-（2-methyl-5-（（2-（p-tolyloxy）acetamido）methyl）pyrimi- din-4-yl）benzamide has been prepared at room temperature and characterized by 1H NMR, 13C- NMR, IR, MS, elemental analysis and X-ray single-crystal determination. The compound crystallizes in monoclinic, space group P21 /c with a = 17.226（5）, b = 13.934（4）, c = 17.262（5）, μ= 92.180（5）°, V = 4140（2） ？3, Dc = 1.311 g/cm3, Z = 8, F（000） = 1712 and ？？= 0.095 mm-1. The molecular packing in the crystal is the result of N-H…ydrogen bonds.

Evaluation of Benzamide Derivatives as New Influenza A Nucleoprotein Inhibitors

Virus nucleoprotein (NP) is an emerging target for drug development for Influenza. We designed benzamide derivatives as new inhibitors of NP that demonstrate good potency in blocking influenza A. Screening revealed that compound 39 was the most potent molecule in the series, exhibiting IC50 values of 0.46 and 0.27 μM in blocking the replication of H3N2 (A/HK/8/68) and (A/WSN/33) influenza A viral strains. The observed inhibition of viral replication correlated well with cytopathic protection. Furthermore, based on computational analysis and fluorescence microscopy, it was determined that compound 39 inhibited nuclear accumulation by targeting influenza A viral nucleoproteins. Finally, the rodent pharmacokinetic profile of compound 32 displayed half-life of greater than 4 hours and bioavailability greater than 20%, suggesting this class of molecules had drug-like properties.

Synthesis and Crystal Structure of 3,5-Dichloro-N-(2-methoxyphenyl)benzamide

The title compound was synthesized by the direct reaction of 3,5-dichlorobenzoic acid with 2-methoxyaniline in the presence of DCC and HOBT. The structure was supported by the spectroscopic data and unambiguously confirmed by the single-crystal X-ray diffraction studies. It crystallizes from a methanol solution in the monoclinic space group P21/c with unit cell dimensions of a = 4.9369（16）, b = 13.351（5）, c = 20.168（7） A, β = 96.755（8）°, V= 1320.1（8） A^3 and Z=4.

Synthesis and Crystal Structure of 4-Chloro-N-(2-(2-nitrophenyl)acetoxy)-N-(m-tolyl)benzamide

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.

Rate Enhancements in the Acetylation and Benzoylation of Certain Aromatic Compounds with Vilsmeier-Haack Reagents Using Acetamide, Benzamide and Oxychlorides under Non-Conventional Conditions

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).

Crystal and Molecular Structure of N-[2-(6-Methoxy-2-oxo-2H-Chromen-4-yl-Benzofuran-3-yl]- Benzamide

The crystal structure of the potential active N-[2-(6-Methoxy-2-oxo-2H-chromen-4-yl)-benzofuran-3-yl]-benzamide (C25H17NO5) (I) has been determined from single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P 21/n, with a = 12.0551(11), b = 9.7853(8), c = 16.6517(16) , β = 90.092(4)o, V = 1964.28(3) 3, Dcalc = 1.391 Mg/m3, Z = 4. In the structure, intermolecular H-bonds lead to the formation of a centrosymmetric dimer of the molecule. There is an intramolecular C7—H7…N1 hydrogen bond forming a closed seven membered ring. There are also intramolecular π-π interactions presented between the 3,6-Dihydro-2H-pyran ring of the chromen moiety [Cg2…Cg2 distance = 3.5812(13) ]. The packing structure is stabilized by these C—H…N, N—H…O hydrogen bonds, C—H… π and π…π interactions.

BANDED TEXTURE FORMATION IN NEMATIC SOLUTION OF POLY (1,4-BENZAMIDE) IN SULFURIC ACID

The banded texture in films prepared from nematic poly (1,4-benzamide) (PBA)/H_2SO_4 solution by shearing and without shearing has been studied by using microscopy techniques. The kinetic parameters of banded texture formation γ_c and τ_b were measured for nematic solution of PBA by using parallel-plate shearing apparatus. The banded texture was also observed in randomly packed domains for nematic solution of PBA on standing without shearing. The properties of banded texture show no difference between the two samples with or without shearing.

Synthesis of methyl N-phenyl carbamate from dimethyl carbonate and 1,3-diphenyl urea under mild conditions

Synthesis of methyl N-phenyl carbamate from dimethyl carbonate and 1,3-diphenyl urea was investigated under atmospheric pressure. The results showed that homogenous catalyst sodium methoxide had the excellent activity to efficiently catalyze the synthesis of methyl N-phenyl carbamate under atmospheric pressure.

Synthesis,Characterization and X-ray Crystal Structure of 2-Methylpropan-2-aminium Methyl ((4-Fluorobenzamido)(4-fluorophenyl)methyl) phosphonate·H_2O

A new crystal of 2-methylpropan-2-aminium methyl （（4-fluorobenzamido）（4- fluorophenyl）methyl）phosphonate has been prepared at room temperature and characterized by ZH- NMR, 13C NMR, IR, MS, elemental analysis and X-ray single-crystal determination. The compound crystallizes in monoclinic space, group C2/c with a = 20.719（2）, b = 11.8559（13）, c = 18.176（2） A,β = 94.434（2）°, V= 4451.4（9） A3, Dc = 1.317 Mg/m3, Z= 8, F（000） = 1864 and μ= 0.174 mm-1. The crystal packing is stabilized by intermolecular N-H……O and O-H……O hydrogen bonds, as well as by weak π-π stacking interactions.

Influence of Solvent on Reaction Path to Synthesis of Methyl N-Phenyl Carbamate from Aniline, CO_2 and Methanol

Methyl N-phenyl carbamate(MPC), an important organic chemical, can be synthesized from aniline,CO2 and methanol. Catalyst Cu-Fe/ZrO2-SiO2 was first prepared and its catalytic performance for MPC synthesis was evaluated. Then the influence of solvent on the reaction path of MPC synthesis was investigated. It is found that the reaction intermediate is different with acetonitrile or methanol as a solvent. With acetonitrile as a solvent,the synthesis of MPC follows the reaction path with diphenyl urea as the intermediate, while with methanol as a solvent the reaction occurs via the reaction path with dimethyl carbonate as the intermediate. The catalytic mechanism of cooperative catalysis comprising metal sites, Lewis acid sites and Lewis base sites is proposed according to different reaction intermediates.

Isobaric vapor–liquid equilibrium for binary system of aniline+methyl-N-phenyl carbamate

In this study,the quasi-static ebulliometric method was used to measure both of the vapor pressures of methyl N-phenyl carbamate(MPC),and the isobaric vapor–liquid equilibrium(VLE) data of the aniline and MPC binary system.The measured vapor pressure data of MPC,at different temperature ranging from 369.60 to 389.54 K,fitted well with the Antoine equation.The VLE data for the aniline and MPC system at(2.00,4.00,6.00,7.00 and 8.00) k Pa were correlated by both of nonrandom two-liquid(NRTL) and Wilson models.The parameters of the two models were obtained by regressing the experimental data,with the absolute temperature deviations of 0.54 K and 0.53 K,respectively.The relative volatility of the binary system calculated was all far more than 1,which gives the conclusion that the high purity MPC can be separated from aniline and MPC binary system by rectification or distillation technology.

含喹唑啉结构的苯甲酰胺类衍生物合成及抗菌活性

以溴代邻氨基苯甲酸为原料,运用活性结构拼接法,设计合成了17个新型的含喹唑啉结构的苯甲酰胺类衍生物(Ⅳ_(a)~Ⅳ_(q))。通过~1H NMR、^(13)C NMR、HRMS和元素分析对化合物进行了结构确认,并以叶枯唑为阳性对照药物,分别在50μg·mL^(-1)、100μg·mL^(-1)浓度下,测试了所有产物对3种常见植物细菌(水稻白叶枯细菌(Xoo)、猕猴桃溃疡病菌(Psa)、柑橘溃疡病菌(Xac))的体外抗菌活性。由于化合物Ⅳ_(d)在两个浓度时对3种细菌抑菌率普遍高于其他16个化合物,且对水稻白叶枯细菌(Xoo)的抑菌率高达100%,明显高于化合物Ⅳ_(d)对另外2种细菌的抑菌率,因此对化合物Ⅳ_(d)进行了抗水稻白叶枯细菌(Xoo)作用机制研究。结果表明:大部分目标化合物对三种病菌都具有一定的抑制活性,其中化合物Ⅳ_(d)表现出较好的抑菌作用。在菌体浓度为10~8CFU/mL,化合物Ⅳ_(d)对Xoo的最低抑菌浓度(MIC)为100μg·mL^(-1),化合物Ⅳ_(d)可通过改变Xoo细胞膜的通透性,在一定程度上破坏菌体的细胞膜,使病原菌细胞内的蛋白质发生泄露,并且化合物Ⅳ_(d)浓度越高,对细胞膜通透性的影响越大;当目标化合物Ⅳ_(d)浓度达到2MIC时,可显著降低3种关键菌体胞内酶活性,从而影响Xoo菌体正常的能量代谢,起到抑菌作用。

双酰胺类化合物引入环丙基制备新型杀虫剂的研究

在双酰胺类化合物中引入环丙基的结构改造,旨在通过结构改造,提升双酰胺类杀虫剂的杀虫广谱。以2-氟-3-胺基苯甲酸甲酯为原料制备新型双酰胺类化合物N-[2-溴-4-(1,1,1,2,3,3,3-七氟丙-2-基)-6-三氟甲氧基苯基]-3-[N-(环丙甲基)苯甲酰胺基]-2-氟苯甲酰胺(BCPF)。有利于该化合物进一步杀虫药效、作用机制及高效杀虫剂的研究。

苯甲酰胺与电子束复合处理对大豆的损伤效应

应用电子束和苯甲酰胺单因子和复因子处理大豆风干种子的结果表明:苯甲酰胺单因子处理,对大豆M_1代的苗高、成株率、孕性和根尖细胞染色体畸变频率均未产生明显影响,即苯甲酰胺本身无药效反应;苯甲酰胺和电子束复因子处理较电子束单因子处理的苗高、成株率和孕性明显降低,根尖细胞染色体畸变频率明显增加,即苯甲酰胺能够增强电子束的损伤效应。