2-(4-咔唑-1-基-苯基)-1H-苯并咪唑的合成及其光学性质

以邻苯二胺与4-(咔唑-1-基)苯甲醛为原料,合成了一种新型苯并咪唑衍生物--2-(4-咔唑-1-基-苯基)-1H-苯并咪唑(2),其结构经¹H NMR, ¹³C NMR, MS（ESI), IR和元素分析表征。通过理论计算,结合UV-Vis和单光子荧光光谱研究了其光学性质,结果表明：2在二氯甲烷,乙酸乙酯,乙醇,乙腈和DMF中的λ_max均位于292 nm和330 nm 附近, λ_em分别为389 nm, 379 nm, 395 nm, 400 nm和390 nm。     

Synthesis of 2-(2-Fluorophenyl)-2-methylamino-Cyclohexanone as a New Ketamine Derivative

The main goal of this article is to the present research on the development of ketamine derivatives. The target molecule was a fluoroderivative of ketamine, for which a multistep synthesis has been reported. This novel ketamine derivative, 2-(2-fluorophenyl)-2-methylamino-cyclohexanone, has been called fluoroketamine by our research group. The starting fluorobenzonitrile was reacted with the appropriate Grignard reagent followed by the bromination reaction to obtain α-bromocyclopentyl-(2-fluorophenyl)-ketone. The reaction of the obtained ketone with methylamine at ?40 °C then resulted in the formation of α-hydroxycyclopentyl-(2-flourophenyl)-N-methylamine. Finally, the five-memberd ring cyclopentanol was expanded to the cyclohexylketone by a thermal rearrangement reaction. The HCl salt of the target molecule, which is soluble in water, was obtained by the acidification of the free fluoroketamine with HCl. Preliminary animal tests on mice have shown that the resulting fluoroketamine has some advantages over ketamine in terms of the effective dose and the recovery time.     

Hydrothermal Synthesis,Structure and Property of a Zinc Coordination Polymer Based on Aromatic Polycarboxylate and Phenanthroline Ligands

A zinc coordination polymer [Zn(μ₂‐H₂bta)_1/2(μ₄H₂bta)_1/2(phen)(H₂O)]_n ( 1 ) (H₄bta = benzene‐1,2,4,5‐tetracarboxylic acid, phen = 1, 10‐phenanthroline) has been hydrothermally synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric and single‐crystal X‐ray diffraction analyses. Compound 1 displays pucker layer structure formed from Zn²⁺ ions and μ₂‐H₂bta^2? and μ₄‐H₂bta^2? bridging ligands, and it is linked into three dimensional (3D) supramolecular frameworks through the hydrogen bonds and π‐π interactions. It exhibits strong blue fluorescence at room temperature in the solid state.     

Synthesis and fasciolicidal activity of 5-chloro-2-methylthio-6-(1-naphthyloxy)-1H-benzimidazole

The synthesis and fasciolicidal activity of 5-chloro-2-methylthio-6-(1-naphthyloxy)-1H-benzimidazole (6) is described. Compound 6 showed 100% activity in vitro at 146.70 and 29.34 microM concentrations. It also completely removed 3-d and 10-week-old Fasciola hepatica in sheep at a dose of 15 mg/kg.     

Facile and Simple Synthesis of Novel 1-Methyl-2-(2-substituted-oxazol-4-yl)-1H-benzimidazole Derivatives

Novel 1-methyl-2-(2-substituted-oxazol-4-yl)-1H-benzimidazole derivatives were obtained in good yields and purity by treating corresponding 2-benzimidazolyl esters with acetamide in the presence of BF₃-etherate, a Lewis acid.     

A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole

The molecular geometry and vibrational frequencies of 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole (C(16)H(12)N(2)S(2)) in the ground state has been calculated using the Hartree-Fock (HF) and density functional method (B3LYP) with 6-31G(d) basis set. The optimized geometric bond lengths and bond angles obtained by using HF and DFT (B3LYP) show the best agreement with the experimental data. Comparison of the observed fundamental vibrational frequencies of 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole (C(16)H(12)N(2)S(2)) and calculated results by density functional B3LYP and Hartree-Fock methods indicate that B3LYP is superior to the scaled Hartree-Fock approach for molecular vibrational problems.     

Synthesis and Crystal Structure of a Dinuclear Cobalt(II) Complex [Co2(1H-benzimidazole)4(1,4-bdoa)2]

1 INTRODUCTION In the last decades, metal carboxylate complexes have become a particularly important subject in mo- dern coordination chemistry owing to their fascina- ting structural diversity and potential applications as functional materials[1～3]. The generation of supramo- lecular architectures relies on the combination of se- veral factors, such as the coordination geometry of metals, bonding of the ligands and reaction condi- tions[4, 5]. In relation to the ligands, the judicious c…     

Synthesis and Fungicidal Activity of 2-Acetyl-6-(un)substituted-1 H-benzimidazole Oxime-ethers

Twelve novel compounds of 2‐acetyl‐1H‐benzimidazole oxime‐ethers and 2‐acetyl‐6‐chloro‐1H‐benzimidazole oxime‐ethers were synthesized with o‐phenylenediamine (or 4‐chloro‐o‐phenylenediamine), 2‐hydroxypropyl acid, alkoxy (or benzyloxy) amines hydrochloride as starting materials. The structures of the target compounds were characterized by IR, ¹H NMR spectra and elemental analyses. The in vitro fungicidal activities against Botrytis cinerea Pers and Alternaria alternata were also evaluated by mycelium growth rate method. The results indicate that the compounds 3b , 3c , 3f , 3g and 3h exhibit good activities against Botrytis cinerea Pers, while 3b and 3f possess excellent activities against Alternaria alternate, and their fungicidal activities are all higher than that of carbendazim.     

新型吡唑基咔唑衍生物的合成及其光学性质

以咔唑为原料,合成了一种新型的咔唑衍生物--9-丁基-3,6-二[3'-(5'-三氟甲基)吡唑基]咔唑(4),其结构经1H NMR,IR和MS表征.运用UV和单光子荧光光谱研究了中间体和4的光学性质,结果表明:4有望成为具有应用价值的发光材料.     

新型咔唑三吡啶衍生物的合成及其光学性质

以咔唑为原料,合成了一种新型的咔唑类衍生物:N-己基-3,6-二{2-[4-(2,2′∶6′,2″-联三吡啶)-4′-基)苯基]乙烯基}咔唑(1),其结构经1HNMR,13CNMR和IR表征。紫外光谱和单光子荧光光谱研究结果表明,1在乙醇中的荧光量子产率为0.88(罗丹明B乙醇溶液为参比)。     

Chemistry of 2-hetarylbenzimidazoles. 10. Synthesis and properties of 2-(3′-furyl)-1-methyl-1H-benzimidazole

A study was carried out on the electrophilic substitution reactions such as chloromethylation, bromination, sulfonation, nitration, and acylation of 2-(3′-furyl)-1-methyl-1H-benzimidazole in acid media. All these reactions proceed at C₍₂₎ and C₍₅₎ of the furan ring. Quantum-chemical calculations of the three-dimensional structure of such heterocyclic systems are given. Communication 9, see ref. [1]. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1815–1820, December, 2005.     

(R)-2-{[4-(3-甲氧基丙氧基)-3-甲基吡啶-2-基]甲基亚硫酰基}- 1H-苯并咪唑的合成

以2,3-二甲基吡啶为起始原料, 经过11步反应, 不对称合成了质子泵抑制剂的关键中间体: (R)-2-{[4-(3-甲氧基丙氧基)-3-甲基吡啶-2-基]甲基亚硫酰基}-1H-苯并咪唑. 研究了用手性高效液相色谱拆分对映体、测定产品光学纯度的方法, 结果表明目标产品的ee值达到99%. 通过IR, UV, MS以及1H NMR分析对重要中间体和目标产品进行了结构鉴定.     

新型亲脂性菲啰啉衍生物的合成及其自组装性能

以1,10-菲啰啉为起始原料,经溴代、氧化、Suzuki偶联等反应合成了新型亲脂性菲啰啉衍生物——3,8-二(4-联苯基)-5,6-二(十二烷氧基)-1,10-菲啰啉(1),总收率11.24%,其结构经1H NMR,13C NMR和MALDITOF-MS表征。自组装性能研究结果表明,1的自组装体呈规整的微米球状结构。     

2－（4－联苯基）苯并噁唑衍生物的合成及其光学性能

合成了７种２－（４－联苯基）苯并　唑衍生物，其中５种为未知物．经元素分析、ＩＲ、ＵＶ、１ＨＮＭＲ和ＭＳ表征，并测定了上述化合物的荧光发射光谱、荧光量子产率和激光转换效率，结果发现５，７－二异丙基－２－（４－联苯基）苯并　唑的激光转换效率高，具有应用价值．     

新型8-氨基喹啉锌配合物的合成及其荧光性能

以8-氨基喹啉,高氯酸锌和叠氮酸钠为原料,通过溶剂热反应合成了一种新型的单核配合物[Zn(8-aminoql)2(N3)]·Cl O4(1),其结构经FT-IR,元素分析和X-射线单晶衍射表征。1(CCDC:1 028 430)属单斜晶系,P2/c空间群,晶胞参数a=8.445 2(7),b=6.878 1(6),c=16.437 3(13),β=93.72(3)°,V=952.78(14)3,Z=2,Dc=1.726 g·cm-3,μ=1.474 mm-1,F(000)=504,R1=0.052 4,wR2=0.140 4[I2σ(I)]。中心Zn(II)为五配位构型,分别与五个N原子配位,其中4个N原子来自两个8-氨基喹啉配体,一个N原子来自N3-。1通过分子间弱的氢键(N-H┈O)和芳环间π…π堆积作用构成三维超分子结构。固体荧光性能测定结果表明:在355.0 nm波长激发下,1的最大发射波长位于516.4 nm。     

2—（4—联苯基）苯并恶唑衍生物的合成及其光学性能

合成了７种２－（４－联苯基）苯并恶唑衍生物，其中５种为未知物。经元素分析、ＩＲ、ＵＶ、＾１ＨＮＭＲ和ＭＳ表征，并测定了上述化合物的荧光发射光谱、荧光量子产率和激光转移效率，结果发现５，７－二异丙基－２－（４－联苯基）苯并恶唑的激光转换效率高，具有应用价值。     

六(3,3-二甲基-1-(1H-1,2,4-三唑)-2-丁酮)锌高氯酸盐配合物的合成及晶体结构

3，3-二甲基-1－（1H－1，2，4-三唑）－2-丁酮的锌配合物（C48H78Cl2N18O14Zn）已被合成。X-射线衍射结构分析表明，晶体属单斜晶系，空间群P21／n，晶体学数据：晶体体积结构偏离因子，标题配合物分子中6个三唑环上的4位N原子与Zn原子配位，形成八面体结构，锌原子处在结晶学的对称中心上。