Synthesis and Crystal Structure of an (N-Protected amino)-β-lactam Derivative of 1,5-Benzothiazepine

1 INTRODUCTION 1,5-Benzothiazepines are a kind of compounds which have important biological activitives[1, 2]. Cycloaddition reactions of their active C=N bond with ketene permit the construction of new -lactam ring. The -lactam moiety is the main part of the antibiotics such as penicillins. So the product of this reaction possesses two active centers and can be beneficial to pharmaceutical research. In this paper we have achieved the asymmetric ketene-imine cycloadditions employing the…     

Design and synthesis of 2-alkylbenzimidazole derivatives as novel non-peptide angiotensin Ⅱ AT1 receptor antagonists

A series of 2-alkylbenzimidazole derivatives 9a-n have been designed and synthesized as a novel class of non-peptide angiotensin Ⅱ AT1 receptor antagonists. The synthesized compounds were evaluated for their antagonism of angiotensin Ⅱ, induced contraction in the rabbit thoracic aortic ring and the results showed that compounds 9a, 9g and 9j exhibited potent antagonistic activity of AT1 receptor.     

由水杨醇衍生的二苯并冠醚的合成和构型

将水杨醇在ＤＭＦ中与ＮａＨ和二甘醇或三某醇二对甲苯磺酸酯反，合成了２个新的二苯并冠醚（１和２），其结构由元素分析和波谱分析所表征，１ 射线衍射分析确定为反位构型，提出了合成反应的机理。     

GABAA五种亚型受体与BZ配基的3D-QSAR研究

GABAA受体是中枢神经系统内重要的抑制性受体,有广泛的神经生理活性.由于镇静/抗惊厥药物在临床上的广泛应用,使得其中苯并二氮杂作用位点尤为重要.我们用比较分子场法(CoMFA)对一系列咪唑苯并二氮杂类化合物（BZ）与五种重组受体亚型的亲和力进行了结构活性关系研究,得到的一组模型都有较高的交叉验证系数.并在此基础上,建立了非交叉验证的一组PLS模型.用该组模型对随机选择的6个化合物组成的测试集进行了预测,都得到了相当满意的结果,表明所建立的一组模型具有良好的预测能力.本研究对于设计高亲和力的BZ受体的配基和研究GABAA受体的模型有指导意义.     

SYNTHESIS AND THERMAL PROPERTIES OF POLYBENZOXAZOLE FROM SOLUBLE PRECURSOR WITH HYDROXY-SUBSTITUTED POLYENAMINONITRILE

Aromatic polybenzoxazole (PBO) precursor, hydroxy-substituted polyenaminonitrile, was prepared by direct polycondensation of 1,4-bis(l-chloro-2,2-dicyanovinyl)benzene (CCB) and 4,6-diaminoresorcinol dihydrochloride (DAR) using pyridine and N,N-dimethylacetamide as condensing agent and solvent. The precursor has good solubility in polar aprotic solvent which is due to the strong dipolar nature of the main chain. The soluble precursor was subjected to thermal cyclization in an inert atmosphere to convert it into the corresponding PBO, which has its 5% weight loss temperature at 540℃ The fully cyclized PBO were characterized by FT-IR and TGA. The introduction of 10% mol 1,3,5-benzenetricarboxylic chloride (BTC) into the main chain not only has little effect on the solubility of PBO precursor but also raises its 5% weight loss temperature to 552℃ and char yield at 700℃ for the cyclized PBO with BTC.     

2-(2′-羟基-5′-甲基苯基)苯并三氮唑质子转移的光谱和反应机理

用AMI和INDO/CI方法研究了2-(2’-羟基-5’-甲基苯基)苯并三氮唑的激发态质子转移反应,求得基态和激发态反应的位能面、势垒和过渡态;研究了异构体的稳定性、氢键强度及光谱的指认,计算结果均与实验结果符合.讨论了对光诱导质子转移的机理和应用前景.     

四甲氧基取代的二苯并并四苯(DBN)的合成, 晶体结构及聚集效应

本文从商品化的间溴苯甲醚和对甲氧基苯甲醛出发，通过傅-克酰基化反应、串联的羟醛缩合及1,4-迈克尔加成反应，得到三芳基取代的1,5-二酮，然后用查尔酮（Chalcone）作氧化剂，二酮与BF₃.Et₂O 反应形成吡喃鎓盐，再与苯基乙酸钠盐缩合得到芳香二溴代衍生物，产物的DMA溶液在DBU和钯催化剂的作用下，160°C 加热12 h进行脱卤化氢环化反应, 生成四甲氧基取代的二苯并并四苯（DBN）类衍生物。并报道了产物的晶体结构和在溶液中的聚集效应。     

Synthesis of Tetra—Schiff Base Macrocyclic Compound Containing Benzo—12—crown—4

Tetra-Schiff base macrocyclic compound containing benzo-12-crown-4 was synthesized via condensation of 2,6-diformyl-4-methyl-phenol with 4′，5′-diaminobenzo-12-C-4 promoted by proton. The compound was characterized by MS,IR ^1HNMR spectroscopy and elemental analysis.     

新型含2-苯基-1,2,3-三唑基的1,5-苯并硫氮杂及其β-内酰胺衍生物的合成

α ,β 不饱和酮 (1a～ 1e)与邻氨基苯硫酚反应 ,得到含 2 苯基 1,2 ,3 三唑基的 1,5 苯并硫氮杂 (2a～ 2e) ,然后以其为原料与烯酮“现场”进行 [2 +2 ]环加成 ,合成出一系列含 2 苯基 1,2 ,3 三唑基的 β 内酰胺并合的 1,5 苯并硫氮杂衍生物 (3a～ 3j) .产物经1 HNMR ,IR ,元素分析及MS加以确证     

用动力学方法研究8,9-苯并-2-亚甲基-1,4,6-三氧螺[4,4]壬烷的聚合反应机理

根据在自由基引发剂存在下,8,9-苯并-2-亚甲基-1,4,6-三氧螺(4,4)壬烷(Ⅰ)可能存在的竞争反应,推导了动力学方程式。用红外光谱法测定了单体的消失速率和苯酞的生成速率。实验结果与推导动力学方程式相符。进一步证明了单体(Ⅰ)的增长反应由加成聚合和开环—异构化—加成这两个反应组成。这两个反应对总速率的相对贡献与单体浓度有关。得到了共聚物的结构。