Mild method for the synthesis of 1H-indazoles through oxime-phosphonium ion intermediate

The synthesis of 1H-indazoles from o-aminobenzoximes is achieved via N–N bond formation using triphenylphosphine, I₂, and imidazole. Selective formation of oxime-phosphonium ion intermediate in the presence of the amino group is the driving force for this reaction. The nucleophilicity of the arylamino group and electrophilicity toward the N–O bond of oxime also control the reaction. The reaction proceeds at a faster rate with good to excellent yield under this mild reaction condition and is amenable to scale-up.     

Vanadium-catalyzed green oxidation of benzylic alcohols in water under air atmosphere

The oxidation of alcohols using catalytic amounts of metal complexes is highly attractive from the viewpoint of green chemistry principles. However, examples of metal complex-catalyzed oxidations of alcohols with O₂ using water as the solvent are still rare, and precious metals, high-pressure O₂ or air, and a stoichiometric amount of base are often required. In this study, it was found that an oxovanadium-4,4′-t-Bubpy (4,4′-di-tert-butyl-2,2′-bipyridyl) complex exhibited high catalytic activity in the oxidation of benzhydrols under an atmosphere of O₂ in water as the sole solvent. Interestingly, this catalytic oxidation method could be applied to the gram-scale aerobic oxidation of alcohols in water under the atmosphere.     

新型吡唑联吡咯类杂环化合物的合成及杀菌活性

为寻找具有更高生物活性、更环保的新农药杀菌剂,基于杀菌剂氟咯菌腈设计并合成了10个新型吡唑联吡咯类杂环化合物,以吡唑环代替氟咯菌腈上原有的苯环,以期提高其杀菌活性.采用1H NMR,FTIR,单晶X射线衍射、元素分析和熔点测定等测试手段对目标化合物及其中间体的结构进行了表征与确认,并通过挥发法培养得到了6个目标化合物的单晶.还对其中6个化合物进行了生物活性测试,测试结果表明各化合物对水稻纹枯病、黄瓜灰霉病、黄瓜霜霉病均表现出一定的抑菌效果,可作为先导化合物对其结构进行深入的研究,为新农药杀菌剂的开发提供了理论支持.     

Raney Ni催化生物基糠醛还原胺化合成糠胺

生物质衍生物糠醛还原胺化是合成糠胺的一种有效方法。本文以糠醛为原料、氨水为氨源,使用商业Raney Ni催化糠醛还原胺化合成糠胺,考察了氢压、温度、n(糠醛)/n(氨水)、溶剂、催化剂用量等条件对反应的影响。实验结果表明：在1,4-二氧六环溶剂中,0.03 g Raney Ni、n(糠醛)/n(氨水)=1/2、130 ℃、2.0 MPa H₂条件下反应3 h,糠醛转化率100%,糠胺选择性96.3%。与传统方法相比,该工艺实现了非贵金属催化剂作用下高选择性反应,具有操作简单、低成本、收率高等优点。      

Practical Synthesis of 2-Iodosobenzoic Acid (IBA) without Contamination by Hazardous 2-Iodoxybenzoic Acid (IBX) under Mild Conditions

We report a convenient and practical method for the preparation of nonexplosive cyclic hypervalent iodine(III) oxidants as efficient organocatalysts and reagents for various reactions using Oxone^® in aqueous solution under mild conditions at room temperature. The thus obtained 2-iodosobenzoic acids (IBAs) could be used as precursors of other cyclic organoiodine(III) derivatives by the solvolytic derivatization of the hydroxy group under mild conditions of 80 °C or lower temperature. These sequential procedures are highly reliable to selectively afford cyclic hypervalent iodine compounds in excellent yields without contamination by hazardous pentavalent iodine(III) compound.     

Solvent-free 1,6-conjugate arylation of para-quinone methides: A greener approach to unsymmetrical triarylmethanes

A highly efficient arylation of para-quinone methides (p-QMs) with N,N-dimethylaniline under solvent free condition has been developed, which proceeded via a para-toluenesulfonic acid (TsOH)-promoted 1,6-conjugated addition pathway. This methodology provided a green and sustainable methodology to construct various novel unsymmetrical triarylmethanes (TAMs) with the advantages of good functional group tolerance, scalability, and regioselectivity.     

A posterior error estimates for the nonlinear grating problem with transparent boundary condition

The nonlinear grating problem is modeled by Maxwell's equations with transparent boundary conditions. The nonlocal boundary operators are truncated by taking sufficiently many terms in the corresponding expansions. A finite element method with the truncation operators is developed for solving the nonlinear grating problem. The two posterior error estimates are established. The a posterior error estimate consists of two parts: finite element discretization error and the truncation error of the nonlocal boundary operators. In particular, the truncation error caused by truncation operations is exponentially decayed when the parameter N is increased. Numerical experiment is included to illustrate the efficiency of the method. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1101–1118, 2015     

Numerical analysis for the mixed Navier–Stokes and Darcy Problem with the Beavers–Joseph interface condition

In this article, we consider the coupled Navier–Stokes and Darcy problem with the Beavers–Joseph interface condition. With suitable restrictions of physical parameters α and ν, we prove the existence and local uniqueness of a weak solution. Then we propose a coupled finite element scheme and a decoupled and linearized scheme based on two‐grid finite element. Under suitable further restrictions, their optimal error estimates are obtained. Finally numerical experiments indicate the validity of the theoretical results as well as the efficiency and effectiveness of the decoupled and linearized two‐grid algorithm. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1009–1030, 2015