THEORETICAL STUDIES OF 5-EXO SELECTIVE INTRAMOLECULAR CYCLIZATION OF 0-ALKYNYLBENZOIC ACID CATALYZED BY ORGANIC BASE

Masahiro Terada; Chikashi Kanazawa; Masahiro Yamanaka

首页> 外文期刊>Heterocycles: An International Journal for Reviews and Communications in Heterocyclic Chemistry >THEORETICAL STUDIES OF 5-EXO SELECTIVE INTRAMOLECULAR CYCLIZATION OF 0-ALKYNYLBENZOIC ACID CATALYZED BY ORGANIC BASE

【24h】

THEORETICAL STUDIES OF 5-EXO SELECTIVE INTRAMOLECULAR CYCLIZATION OF 0-ALKYNYLBENZOIC ACID CATALYZED BY ORGANIC BASE

机译：有机碱催化0-炔基苯甲酸的5-EXO选择性分子内循环的理论研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Theoretical studies of the organic base-catalyzed 5-exo intramolecular cyclization of o-alkynylbenzoic acid were documented.The acidic fragment participating in the transition states was shown to reduce the activation energy significantly on the basis of hybrid DFT (BHandHLYP) calculation of 5-exo and 6-endo transition states.Furthermore,preference for the 5-exo cyclization mode was rationalized by natural population analysis of optimized structures of the transition states and the reactants.

机译：记录了有机碱催化邻炔基苯甲酸的5-exo分子内环化的理论研究。基于杂化DFT（BHandHLYP）计算的5-，表明参与过渡态的酸性片段显着降低了活化能exo和6-endo过渡态。此外，通过对过渡态和反应物的优化结构进行自然种群分析，合理选择了5 exo环化模式。

著录项

来源
《Heterocycles: An International Journal for Reviews and Communications in Heterocyclic Chemistry》 |2007年第0期|共7页
作者
Masahiro Terada; Chikashi Kanazawa; Masahiro Yamanaka;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类杂环化合物;
关键词

相似文献

外文文献
中文文献
专利

1. THEORETICAL STUDIES OF 5-EXO SELECTIVE INTRAMOLECULAR CYCLIZATION OF 0-ALKYNYLBENZOIC ACID CATALYZED BY ORGANIC BASE [J] . Masahiro Terada, Chikashi Kanazawa, Masahiro Yamanaka Heterocycles: An International Journal for Reviews and Communications in Heterocyclic Chemistry . 2007,第0期

机译：有机碱催化0-炔基苯甲酸的5-EXO选择性分子内循环的理论研究
2. Theoretical study on the 5-exo/6-endo selectivity in the cyclization of electrophilic radicals [J] . Gyorgy M. Keseru, Laszlo Toke, Zoltan Hell, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1997,第0期

机译：亲电子基团环化中5-exo / 6-endo选择性的理论研究
3. Reverse of Regioselectivity in Intramolecular Nucleophilic Substitution of π-Allyl Palladium Species. Highly Selective Formation of Vinylic Cyclopropanes via the Pd(0)-Catalyzed Coupling-Cyclization Reaction of Organic lodides with 2-(2',3'-Dienyl)m [J] . Shengming Ma, Shimin Zhao Organic letters . 2000,第16期

机译：π-烯丙基钯物种分子内亲核取代中区域选择性的逆转。通过Pd（0）催化的有机卤化物与2-（2'，3'-Dienyl）m的Pd（0）催化的偶联-环化反应高度选择性地形成乙烯基环丙烷
4. Rhodium-catalyzed Intramolecular Aziridination of 5-O-Sulfamoylbutenolides: Efficient Stereospecific Access to Aziridino-γ-Iactones, Starting Materials for the Synthesis of Complex α- or β-Amino Acids [C] . Mauricio F. Saraiva, Marcelo S. Valle, Mauro V. de Almeida European Symposium on Organic Chemistry . 2009

机译：铑催化的分子内氮化为5-O-磺酰丁蛋白剂：高效立体性接入Aziridino-γ-ICONE，用于合成复合α-或β-氨基酸的原料
5. Insights into Chemical Reactivity: I. Computational Study of the Primary Versus Secondary O-18 Equilibrium Isotope Effects on Acidity, II. Low-temperature Studies on the Hydrogen-bond Symmetry of Hydrogen Cyclohexene-1,2-dicarboxylate Monoanion in an Organic Medium, III. Computational Study of the Base-catalyzed Decomposition of Malonic Anhydride. [D] . Burke, Kathryn D. 2013

机译：对化学反应性的见解：I.初级对O-18平衡同位素对酸度的影响的计算研究，II。有机介质中环己烯1,2-二羧酸单氢阴离子氢键对称性的低温研究，III。丙二酸酐的碱催化分解的计算研究。
6. Acid and base catalyzed Davis-Beirut reaction: experimental and theoretical mechanistic studies and synthesis of novel 3-amino-2H-indazoles [O] . Belem Avila, Mohammad H. El-Dakdouki, Musa Z. Nazer, -1

机译：酸碱催化戴维斯 - 贝鲁特反应：实验和理论机械研究和新型3-氨基-2H-吲唑的合成
7. Computational Studies on the Mechanisms of Nonenzymatic Intramolecular Cyclization of the Glutamine Residues Located at NTermini Catalyzed by Inorganic Phosphate Species [O] . -1

机译：无机磷酸盐物种催化谷氨酸残基的非酶体分子分子化机制的计算研究
8. Isotopic composition of Murchison organic compounds: Intramolecular carbon isotope fractionation of acetic acid. Simulation studies of cosmochemical organic syntheses [R] . Yuen, G. U., Cronin, J. R., Blair, N. E., 1991

机译：murchison有机化合物的同位素组成：乙酸的分子内碳同位素分馏。宇宙化学有机合成的模拟研究

THEORETICAL STUDIES OF 5-EXO SELECTIVE INTRAMOLECULAR CYCLIZATION OF 0-ALKYNYLBENZOIC ACID CATALYZED BY ORGANIC BASE

摘要

著录项

相似文献

相关主题

期刊订阅