Theoretical studies on cycloaddition reactions
نویسندگان
چکیده
منابع مشابه
Theoretical studies on cycloaddition reactions
Cycloaddition reactions represent one of the most powerful processes in organic chemistry. The most common types of cycloaddition reactions are the Diels-Alder (DA) and the 1,3-dipolar cycloaddition reactions (1,3-DCs) which lead to five and six membered rings, respectively. In our ongoing efforts to contribute to the understanding of DA and 1,3-DCs; we studied the following using the B3LYP/6-3...
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The 1,3-Dipolar cycloaddition reactions are the classic reaction in modern synthetic organic chemistry. The concept of these reactions was introduced by Huisgen and his co-workers in the early 1960’s. 1,3-Dipolar cycloaddition reactions are simple but powerful tool for the construction of five membered heterocycles such as isoxazoles, isoxazolines, pyrazoles, pyrazolones, 1,2,4-oxadiazolines et...
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The reaction of a series of allyl-substituted bis(phenylsulfony1)methanes or dimethyl malonates with 2,3-bis(phenylsulfonyl)l13-butadiene in the presence of base afforded alkenyl-substituted allenes in good yield. The reaction proceeds by initial attack of the soft carbanion onto the terminal position of the diene and subsequent PhS02elimination to give the phenylsulfonyl substituted allene. Th...
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Cycloaddition reactions between 1,3-butadiene and the C-terminated SiC(1 0 0)-c(2 · 2) surface have been addressed using quantum-chemical methods. The c(2 · 2) structure consists of ACBCA bridges between underlayer Si atoms which themselves form SiASi bonds. Of various possible reaction products, the one formed by a [2+ 4] reaction with the ACBCA bridge (giving a species resembling 1,4-cyclohex...
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2+2] and [4+2] cycloaddition reactions of 1,3-cyclohexadiene on the Si(001) surface were studied. It is shown that not only the [4+2] cycloaddition reaction but also the [2+2] cycloadditions can occur on the Si(001) surface. Surface isomerization reactions connecting [4+2] and [2+2] are very unlikely due to a high energy barrier, implying that the surface reactions are kinetically controlled. T...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2014
ISSN: 1758-2946
DOI: 10.1186/1758-2946-6-s1-p2