Synthesis,Crystal Structure and Fungicidal Activity of(E)-2-[(4-tert-Butyl-5-(4-methoxybenzyl)thiazol-2-ylimino)methyl]phenol

The title compound （E）-2-[（4-tert-butyl-5-（4-methoxybenzyl）thiazol-2-ylimino）methyl]phenol was synthesized by the reaction of 5-（4-methoxybenzyl）-4-tert- butylthiazol-2-amine with salicylaldehyde, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 5.9362（8）, b = 11.5070（15）, c = 29.460（4）A, β= 97.326（3）°, V = 1995.9（5） A^3, Z = 4, F（000） = 808, C22H24N2O2S, Mr= 380.49, De= 1.266 g/cm^3, S = 1.031,μ = 0.181 mm^-1, the final R = 0.0474 and wR = 0.1441 for 4327 observed reflections （I 〉 2σ（I））. Intramolecular O-H…N hydrogen bond is observed in the crystal. The preliminary bioassay showed that the title compound exhibits 95% inhibition rate against Rhizoctonia solani at the test concentration of 500 mg/L.

Synthesis,Structure and Photoluminescence of Cocrystal of Bis[2-(benz(oxa/imida)zol-2-yl)phenolato-к~2N,O]zinc(Ⅱ) Being Site Occupancy Disorder with a Heteroatom Ratio of NH to O(0.408/0.592)

The zinc（Ⅱ） complex with Hpbx （Hpbx = 2-（benzoxazol-2-yl）phenol） and Hpbm （Hpbm = 2-（benzimidazol-2-yl）phenol）, namely [Zn（pbm）2]1.633[Zn（pbx）212.367·DMF·2H2O 1, has been synthesized and characterized by X-ray crystallography, FTIR and elemental analysis. The coordination structures are statistically disordered and can be regarded as a co-crystal of [Zn（pbm）2] and [Zn（pbx）2] with the ratio of ca. 0.408/0.592. Solvate water and DMF molecules are also present in the lattice. Crystal data for 1; monoclinic, space group P21/c, Mr= 2049.02, Z = 2, α = 9.7571（6）, b = 25.6415（16）, c = 19.8675（10） A, β= 111.342（2）°, V = 4629.7（5） A^3, Dc = 1.470 g/cm^3,μ = 1.100 mm^-1, F（000） = 2104, R = 0.0575 and wR = 0.1282 for 5528 observed reflections （I〉2σ（I））. The photoluminescent spectra for this compound have also been studied.

Synthesis, Structure and Geometrical Calculation of a Novel Co-crystal of {[4-Bromo-2-(benzimidazol-2-yl)phenolato][2-(1-butylbenzimidazol-2-yl)phenolato]zinc(Ⅱ)] and Bis[μ-2-(1-butylbenzimidazol-2-yl)phenolato]-1κN^3:2κO;1κO:2κN^3-bis{[2-(1-butylbe

The title compound has been synthesized and characterized crystallographicaUy. It is a co-crystal consisting of two different neutral zinc（H） complexes with Hbpbm （Hbpbm = 4- bromo-2-（benzimidazol-2-yl）phenol） and Hnpbm （Hnpbm = 2-（1-butylbenzimidazol-2-yl）phenol）. One is a monomeric mixed-ligand complex of [Zn（bpbm）（npbm）] 1 and the other a dimer of [Zn2（npbm）4] 2 with their ratio of 2：1. Thus the overall formula for the title compound is 21.2. Adjacent 1 and 2 are connected to each other by intermolecular hydrogen bonding interactions in the lattice. The crystal data： monoclinic, space group P21/c, a = 15.0141（12）, b = 20.9941（17）, c = 18.4686（15） A, β = 97.445（2）°, V = 5772.4（8） A^3, Mr= 2429.68, Z = 2, Dc = 1.398 g/cm^3,μ = 1.579 -1 mm , F（000） = 2504, R = 0.0637 and wR = 0.1771 for 6464 observed reflections （I 〉 2σ（I））. The geometrical structure for 1 has also been theoretically optimized and compared with the experimental one.

Crystal Structure of Phenol,2-[4(S)-4-Dihydro-4-benzyl-2-ozazolinyl]

The compound phenol,2-[4（S）-4,5-dihydro-4-phenyl-2-ozazolinyl（1,C15H13NO2） was synthesized with a simple,one step method free of water and air.It was obtained in a moderate yield from the reaction of 2-hydroxybenzonitrile with optically active amino alcohol in chloroben-zene under dry,anaerobic conditions.It belongs to the orthorhombic system,space group P212121 with a = 5.786（5）,b = 10.730（5）,c = 19.722（5）,C15H13NO2,Mr = 239.26,V = 1224.4（12）3,Z = 4 and Dc = 1.298 mg/m3.The final R = 0.0324 for 1627 observed reflections with Ⅰ 〉 2σ（Ⅰ） and Rw = 0.0826 for all data.The structure of compound 1 was determined by X-ray diffraction,NMR and HRMS.

Separation of potassium from sodium in alkaline solution by solvent extraction with 4-tert-butyl-2-(α-methylbenzyl)phenol

This work investigated the separation of potassium from sodium in alkaline solution using substituted phenol-based extractants.Superior potassium extraction was achieved with 4-tert-butyl-2-(α-methylbenzyl)phenol(t-BAMBP)than 4-sec-butyl-2-(α-methylbenzyl)phenol(BAMBP).The optimum conditions for the extraction were 1 mol/L t-BAMBP,3:1 volumetric phase ratio(O/A),and two extraction stages.After cross-current extraction,the extraction ratio of potassium reached 90.8%.After scrubbing with deionised water at phase ratio of 4:1 and scrubbing stage of 4,a sodium scrubbing efficiency of 88.2%was obtained.After stripping using 1 mol/L H_(2)SO_(4) at phase ratio of 3:1,the stripping efficiency of potassium reached 94.2%.The potassium/sodium(K/Na)concentration ratio increased 14.3 times from 0.15 in the feed solution to 2.3 in the stripping solution.The efficient separation of potassium from sodium in alkaline solution was achieved via solvent extraction with t-BAMBP.

Two Fluorescent Complexes Assembled by Schiff Base 2-Methoxy-6-(phenyliminiomethyl) Phenolate Ligand

Two d10 metal complexes Zn（NCS）2（C14HI3NO2）2 （1） and [Cd（NO3）2（CI4HI3NO2）2]. 4H20 （2） assembled by 2-methoxy-6-（phenyliminiomethyl） phenolate ligand （C14H13NO2, HL） have been synthesized and characterized by elemental analysis, IR and TG The single-crystal X-ray diffraction studies demonstrated that complex 1 crystallizes in monoclinic, P21/c space group with a = 17.321（7）, b = 11.781（0）, c = 15.593（2） A, fl = 110.273（6）°, V = 2984.95 A3, Z = 4, C30H26N404SzZn, Mr = 636.04, F（000） = 1312, Dc = 1.415 g/cm3,μ（MoKa） = 1.004 mm＂1, the final R = 0.0403 and wR = 0.0900 for 21441 observed reflections with I 〉 20（/）. Complex 2 is of monoclinic system, space group C2/c with a = 16.7767（2）, b = 10.8989（2）, c = 17.4928（2） A, fl = 90.614（9）°, V= 3198.37 A3, Z = 4, C28H34N4O14Cd, Mr= 731.25, F（000） = 1528, Dc = 1.568 g＇cm^-3, μ（MoKa） = 0.757 mm-1, the final R = 0.0361 and wR = 0.0857 for 19811 observed reflections with I 〉 2σ（I）. The two complexes were formed by Schiff base 2-methoxy-6-（phenyliminiomethyl） phenolate ligand and formed a 3D supramolecular architecture by π-πstacking interactions. Moreover, the complexes are luminescent in the solid state. These observations indicate that the complexes are promising system for the development of potential photoactive materials.

2-羟基-β-硝基苯乙烯与硫叶立德的[4+1]环加成反应构建二氢苯并呋喃类化合物

在无催化剂的条件下,研究了2-羟基-β-硝基苯乙烯与硫叶立德的[4+1]环加成反应,考察了溶剂和温度对反应收率及非对映选择性的影响,以99%的收率和>20/1的非对映选择性合成了一系列2,3-二氢苯并呋喃类化合物,其结构经1H NMR,13C NMR和HR-MS(ESI-TOF)确证。

SYNTHESIS,CHARACTERIZATION AND ANTIMICROBIAL PROPERTIES OF 4-[(4-HYDROXYBENZYLIDENE)AMINO]PHENOL AND ITS POLYMER

The oxidative polycondensation reaction conditions of 4-[（4-hydroxybenzylidene） amino] phenol （4-HBAP） were studied with H2O2, air oxygen and NaOCl in an aqueous alkaline medium between 50 and 90℃. The structures of the obtained monomer and polymer were confirmed by FT-IR, UV-Vis, 1H- and 13C-NMR and elemental analysis. The characterization was made by TG-DTA, size exclusion chromatography （SEC） and solubility tests. At the optimum reaction conditions, the yield of poly[4-（4-hydroxybenzylidene amino） phenol] （P-4-HBAP） was found to be 48.3% （for H2O2 oxidant）, 80.5% （for air O2 oxidant） and 86.4% （for NaOCl oxidant）. According to the SEC analysis, the number-average molecular weight （Mn）, weight-average molecular weight （Mw） and polydispersity index （PDI） values of P-4-HBAP was found to be 8950, 10970 g tool^-1 and 1.225, respectively, using H202; and l l610, 15190 g tool^-1 and 1.308 respectively, using air 02 and 7900, 9610 g mol^-1 and 1.216, respectively, using NaOC1. According to TG-DTA analyses, P-4-HBAP was more stable than 4-HBAP against thermal decomposition. The weight loss of P-4-HBAP was found to be 49.27% at 1000℃. The highest occupied molecular orbital （HOMO） and the lowest unoccupied molecular orbital （LUMO） values calculated from electrochemical measurement. Electrochemical energy gaps （Eg＇） of 4-HBAP and P-4-HBAP were found to be -5.46, -5.28; -2.26, -2.67; 3.20 and 2.61 eV, respectively. According to UV-Vis measurements, optical band gap （Eg） of 4-HBAP and P-4-HBAP were found to be 3.34 and 3.01 eV, respectively. Also, antimicrobial activities of 4-HBAP and P-4-HBAP were examined against selected some bacteria. The electrical conductivity of the polymer was measured after doping with iodine.

Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes

Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well established and account well for the experimental long range interaction energies for small clusters of aromatic molecules and most of the calculations were carried out using the MPn methods. If a reasonably large basis set is used to calculate the stacking interaction energies for a cluster (dimer, trimer etc.) of aromatic molecules then the electron-electron correlation energy may be properly calculated. Moreover, ab initio calculations for aromatic π-systems show that the calculated stacking interaction energies highly depend on the basis set used and the electron correlation energy. In this investigation, the electron correlation of the stacked hydrated phenol systems has been accounted at MP2 level of calculations. We have calculated the π-π stacking interaction energies of the hydrated phenolic systems with different conformations.

Robust Carbon-Carbon Cleavage in Lignin to Produce Phenol and Cyclohexanone

The challenge of breaking 5-5'bonds in lignin,attributed to their high bonding energy,has prompted the development of a new transformation pathway.Biphenyl,an important model compound for lignin,contains these 5-5'bonds,making it crucial to devise a strategy for their cleavage in lignin transformation.This study introduces a novel method for transforming biphenyl,involving selective hydrogenation to cyclohexylbenzene by Ni/SiO2 catalyst,followed by its oxidation to phenol and cyclohexanone through a radical mechanism.Results demonstrate that the catalysts with small particles have strong catalytic activity,while there is little difference in selectivity.The reason for the high selectivity of cyclohexylbenzene is due to the limited adsorption of cyclohexylbenzene on Ni/SiO2.This work presents a fresh approach to breaking resilient C-C bonds in lignin.

A Two-dimensional Supramolecular Complex Constructed by 1,10-Phenanthroline Derivative Ligand:Synthesis,Structure and Luminescence

An unusual two-dimensional supramolecular complex, namely, [Cd2（Cl）4（L）2]（1）, has been synthesized by 2-（1 H-imidazo[4,5-f][1,10]phenanthrolin-2-yl）phenol（L） and CdCl2·2.5H2O under hydrothermal conditions. The compound was characterized by elemental analysis, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 10.151（2）, b = 14.119（3）, c = 14.744（3） ？, α = 115.744（4）, β = 108.063（4）, γ = 93.371（4）o, V = 1762.7（7） A°^3, Z = 2, C（38）H（24）Cd2Cl4N8O2, Mr = 991.25, Dc = 1.868 g/cm^3, F（000） = 976, μ（Mo Ka） = 1.560 mm^-1, R = 0.0639 and w R = 0.1307. In 1, two Cd（II） atoms are bridged by two chroline atoms to give a dimer. Neighboring dimers are linked by N–H···Cl hydrogen bonds to afford supramolecular chains, which are further joined together by π-π interactions to result in a supramolecular layer. In addition, luminescent property and thermal behavior of compound 1 have been studied.

Antioxidant and Phenolic Content of Nuts, Oil Seeds, Milk and Milk Products Commonly Consumed in India

Food provides not only essential nutrients required for life, but also bioactive compounds usefull to maintan good health and disease prevention. Abundant epidemiological evidences suggest that consumption of food rich in antioxi-dants (non-nutritional components) can prevent degenerative diseases. A total of 26 commonly consumed nuts, oil seeds, edible oils, milk and milk products were chosen for the study. Considering the fact that antioxidant content (AOC) and phenolic contents (PC) of these foods was not established systematically in Indian context. Therefore, we have assessed and correlated the AOC and PC, an important antioxidant constituents of plant foods. AOC was assessed by DPPH (2, 2-Diphenyl-1-picryl hydrazyl) scavenging activity and FRAP (Ferric reducing antioxidant power) methods and phenolic content (PC), using Folin-Ciocalteu reagent. Among the nuts and oil seeds arecanut had the highest phenolic and antioxidant content 10841, 4220341 mg/100g respectively. In milk, edible oils and sugars the values ranged from 336 -11674 mg/100g. Jaggery had the highest PC and AOC among the foods studied . Although AOC and PC showed wide variation among the foods, AOC was correlated significantly with PC. Indeed the ‘r’ value between PC and AOC (DPPH and FRAP) was 0.99 (p < 0.01) among the nuts and oil seeds, while in milk, milk products and sugars, the “r” values ranged from 0.93 and 0.99 (p < 0.01) respectively. The overall results indicate that the phenolic compounds may be significant contributors to the AOC of the foods studied.

A Concise Synthesis of 2-(2-Hydroxyphenyl)acetonitriles via the o-Quinone Methides Generated from 2-(1-Tosylalkyl)phenols

A concise synthesis of 2-(2-hydroxyphenyl)acetonitriles has been developed through reaction of trimethylsilyl cyanide and the o-quinone methides in situ generated from 2-(1-tosylalkyl)phenols under basic conditions.In addition,2-(2-hydroxyphenyl)acetonitriles could be conveniently transformed to benzofuranones.

A new phenolic compound from Crinum asiaticum L.

A new phenolic compound was isolated from the ethanol extract of the bulbs of Crinum asiaticum L.var.sinicum Baker.Its structure was defined as 1-（2-hydroxy-4-hydroxymethyl）phenyl-6-O-caffeoyl-β-D-gluco-pyranoside on the basis of spectroscopic evidences.

A Phenolic Glucoside from Alangium plantanifolium

A novel phenolic glucoside was isolated from stem barks of Alangium plantanifolium, its structure was elucidated to be 1-O-[2-(1-hydroxy-6-oxocyclohex-2-ene-1-carboxymethyl) -phenyl]-4, 6-O-[(S)-4, 4', 5, 5', 6, 6'-hexahydroxydi-phenoyl]-beta -D-glucopyranose 1 by spectroscopic methods including 2D NMR techniques.

A New Two-dimensional Coordination Polymer Based on Trinuclear Manganese Clusters

A novel two-dimensional Mn（II） coordination polymer, [Mn3（L）R（cis-chdc）fftrans- chdc）]n （L = 2-amino-4-（1H-imidazo[4,5-J][1,10]phenanthrolin-2-yl）phenol and chdc = 1,4-cyclo- hexanedicarboxylate）, has been hydrothermally synthesized and characterized by elemental analysis, IR, TG PL and single-crystal X-ray diffraction. Crystallographic data for this compound： monoclinic space group P2/n with a = 11.0058（13）, b = 9.0179（11）, c = 28.431（3） A, β = 92.850（2）°, V = 2818.3（6） A3, Z = 2, C62Hs6Mn3N10O14, Mr = 1329.99, Dc = 1.567 g/cm3, F（000） = 1370, p（MoKa） = 0.742 mm-1, R = 0.0553 and wR = 0.1421. The chdc carboxylates bridge the Mn（II） atoms to form a trinuclear Mn（lI） cluster. The cis-chdc ligands are held together by the trinuclear Mn（II） clusters to result in a chain structure. Further, the trans-chdc ligands link adjacent chains to furnish a two-dimensional network. The π-π interactions between neighboring layers link the adjacent layers into a three-dimensional supramolecular architecture. Moreover, the N-H...O and O-H...O hydrogen bonds further stabilize the 3D supramolecular architecture.

Chemical constituents from Schisandra sphenanthera

The chemical constituents of the stems of Schisandra sphenanthera are described for the first time. This investigation has resulted in the isolation of a new phenolic glycoside （1）, along with seven known compounds. The structure of 1 was assigned by using spectroscopic techniques, including 2D NMR spectra.

Syntheses, Characterization and Biological Activity of Novel Thiazoylazo Dye and Its Coordination Compounds

The present work describes the synthesis of a novel heterocyclic azo dye by general diazonization of 2-amino-4,5-dimethylthiazole followed by the diazo- coupling of the resulting diazonium ion with 5-methyl-2-(propan-2-yl)phenol to obtain ligand L. This was characterized using Fourier-transformed infrared and electronic spectrophotometry. Ligand L was further coordinated with five metal ions, M:L, 1:2 [M = Cu(II), Mn(II), Zn(II), Ni(II) and Co(II)]. The coordination compounds obtained were characterized by electronic, IR spectrophotometry, magnetic susceptibility and percentage metal analyses. The results obtained suggested that a thiazoylazo dye was obtained as ligand L. It was proposed that two molecules of the solvent coordinated to the metal ion in addition with the ligands to give an octahedral geometry for copper(II), manganese(II) and nickel(II) complexes. On the other hand, square planar geometry was suggested for zinc(II) and cobalt(II) complexes. The anti-infla- mmatory activity of the ligand and coordination compounds was evaluated using four in vitro-based assays viz: xanthine oxidase and lipoxygenase inhibition assay, membrane stability and protein denaturation assay. The synthesized compounds generally exhibited good anti-inflammatory activity in all the assays carried out. However, the reference standards, in this instance, were more effective in the case of xanthine oxidase, lipoxygenase and protein denaturation inhibitory assays. For the membrane stability study, the coordination compounds and ligand L elicited more potent anti-inflammatory activity than the standard drug.