کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9590797 | 1507011 | 2005 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical characterization of two reaction pathways for the intramolecular cyclization of 2-(3-benzylaminopropanoylamino)benzamide
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
During the investigation of the microwave synthesis of compounds related to benzodiazepines by Howard and co-workers, another group of compounds was isolated. First believed to be bicyclic amidines, these compounds were later found to be 4-quinazolinones. In this work, the potential energy surface of the precursor to the observed 4-quinazolinone is explored. The most stable arrangement is found to be a linear conformation of the side chain with the amide group in the Z conformation. Using this structure as the starting point, the reaction pathways for the intramolecular cyclization to form either the 4-quinazolinone or the bicyclic amidine are characterized.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 724, Issues 1â3, 10 June 2005, Pages 143-153
Journal: Journal of Molecular Structure: THEOCHEM - Volume 724, Issues 1â3, 10 June 2005, Pages 143-153
نویسندگان
Christopher Knight, M.C. Milletti,