Synthesis and Crystal Structure of 1,2,4,6-Tetraphenyl-2-hydroxy-8-azabicycle[3,2,1]octane

1 INTRODUCTIONAtrope alkaloids, which exist in eggplant plants, such as atrope and scopolamine, are used as a series of important drugs in medical science [1,2]. The typical character of atrope alkaloid is that these compounds contain the main skeleton of 8-azabicycle[3,2,1]octane , which results in the very complicated synthetic routine[3]. During our research for the reaction of 1,3,5,7-tetraphenyl-4- nitro-1,7-heptadione with low-valent titanium reagent, we easily synthesized the title …     

Two New Compounds from Goniothalamus Cheliensis Hu

Goniothalamus cheliensis Hu (Annonaceace) is a small tree or shrub in Yunnan Province, southwest of China. Acetogenins, styryllactones and alkaloids1-3 from the genus were reported in the previous literature and many of them showed strong cytotoxic activities against a number of human cancer cell lines4. The titled plant has been the subject of our investigation due to the impressive cytotoxicity of its organic extract against mouse lymphocytic leukemia cells in preliminary pharmacological s…     

Synthesis and Structure of E-2-(2,4,6-tri tert butylphenylphosphinyl)-2-〔N-(tert-butyldimethylsilyl)-N-(p-chrolophenyl)〕amino-1-(2,4,6-tri tert-butyl-phenyl)phosphacthylene

1　INTRODUCTIONItwaswellknown thatelementsofthesecondary and higherrow are in generaldifficulty to form multiplebondsin which apπ hybridized stateisinvolved〔1〕.Thus,simple compounds containing multiple phosphorus carbon bonds,such as methyl dynephosphine( HC≡P) 〔2 - 3〕 and methylenephosphine( H2 C=PH〔4〕,are notstableat room temperature.Three methods to stabilize compounds containing double ormultiple bond involving phosphorusatom in the pπ hybridized state are often used.The f…     

Site-specifically Hydrolytic Cleavage of Oxidized Insulin B Chain With Cu(II) Ion

Selectively chemical cleavage of peptides and proteins is one of the most important reactions in both chemical and biochemical processes. Over the past decade, the interaction of palladium(II) complexes with methionine, cysteine and histidine-containing peptides and proteins and the hydrolytic cleavage of the corresponding amide bond by Pd(II) complexes have been extensively studied1-13. However, reports concerning the directly selective hydrolysis of peptides and proteins with other simple …     

A New ent-Kaurane Diterpenoid from Isodon enanderianus

Isodon enanderianus (Hand. -Mazz.) H. W. Li, has been used in folk medicine as anti-inflammatory and detoxified agent1. The Isodon genus is known to be rich in ent-kaurane diterpenoids, a series of new ent-kaurane diterpenoids have been isolated from the dried leaves of I. enanderianus2-4. In order to find more biologically active substances, we have carefully investigated the chemical constituents of I. enanderianus collected in Shiping county of Yunnan province, and as a result, enanderi…     

Photochemical Reduction of Aromatic Imines by 2-Phenyl-N, N-dimethylbenzimidazoline

Reduction of C=N double bonds has been recognized as an important reaction both in organic chemistry and bio-chemistry1. Hantzsch 1,4-dihydropyridine (HEH, one of NADH model compounds) has been reported as a reductive reagent for imines2. However, application of dihydropyridines as practical reducing reagents in organic synthesis is limited because of their instability3. Like NADH models, 2-phenyl-N, N-dimethylbenzimidazoline (PDMBI) is an efficient electron and hydrogen donor (Eox = 0…     

Retention Behaviors of Uronic Acid-containing Polysaccharides and Neutral Polysaccharides in HPGPC

The determination of molecular weights (Mw) of polysaccharides has served as an important process since the physical properties of the polysaccharides are closely related to their Mw and/or molecular weights distribution (MWD). For Mw and MWD determinations, high performance gel permeation chromatography (HPGPC) has gained wide acceptance as a preferred method due to its high sensitivity, speed and reproducibility. In chromatography, it is well known that the molecular weights are determ…     

New conversion of Friendlnder reaction of 3-amino-1H-benzo[f]chromene-2-carbonitriles with cyclohexanone

Two different skeletons of heterocyclic compounds,quinoline and quinazolinone analogs could be obtained by a novel one-pot synthesis from substituted 3-amino-1 H-benzo[f]chromene-2-carbonitrile derivatives and cyclohexanone in DMF in the catalyst of anhydrous zinc chloride under reflux.A plausible mechanism was proposed.     

一维梯形势垒透射系数的计算

构造了在超晶格物理中具有潜在应用价值的一维梯形势垒模型并解析地得到了粒子隧穿势垒的透射系数.给出了该透射系数在低能近似和微斜近似下的近似表达式,并指出它可以视为方势阱透射系数在低能下的修正.此外,区别于方势垒模型,梯形势垒透射系数的峰值并不一定对应于共振透射,但是峰值处对应的粒子入射能量近似地满足势垒高度和相应一维无限深梯形势阱中粒子能级之和的规律.     

金属Fe与间隙H原子相互作用的密度泛函研究

采用基于密度泛函理论的第一性原理方法, 研究了不同摩尔比下H在α-Fe和γ-Fe晶格中的间隙占位情况, 计算了稳态晶体的总能量、结合能、溶解热、电子态密度、电荷差分密度和电荷布居, 分析了间隙H原子和Fe晶格之间的相互作用, 讨论了H溶解对α-Fe和γ -Fe晶体电子结构的影响. 结果表明: H溶解引起α-Fe和γ-Fe晶体点阵晶格畸变, 体积膨胀率随着溶氢量的增加而增加. 从能量角度分析发现, H优先占据α-Fe的四面体间隙位, 而在γ -Fe中优先 占据八面体间隙位. 态密度、电荷差分密度以及电荷布居分析发现, 间隙H原子与Fe晶格的相互作用仅由H的1s轨道电子和Fe的4s轨道电子所贡献, 二者作用力相对较弱, 这是造成H在Fe晶格中固溶度较低的主要原因之一. 关键词： 金属Fe 间隙H原子 第一性原理 溶解热