کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5266366 | 1385309 | 2011 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Exploring the mechanism for the amine-catalyzed isomerization of dimethyl maleate. A computational study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Exploring the mechanism for the amine-catalyzed isomerization of dimethyl maleate. A computational study Exploring the mechanism for the amine-catalyzed isomerization of dimethyl maleate. A computational study](/preview/png/5266366.png)
چکیده انگلیسی
The main objective of this study was to investigate the amine-catalyzed isomerization of dimethyl maleate into dimethyl fumarate in order to utilize the former as a prodrug for the latter. Mechanistic study of this reaction using DFT at B3LYP/6-31G(d,p) level revealed that the reaction is first order in dimethyl maleate, second order in the amine, and overall third order. Moreover, the calculations revealed the existence of a linear correlation between the basicity of the amine catalyst and the isomerization rate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Tetrahedron Letters - Volume 52, Issue 47, 23 November 2011, Pages 6288-6294
Journal: Tetrahedron Letters - Volume 52, Issue 47, 23 November 2011, Pages 6288-6294
نویسندگان
Rafik Karaman,