Reaction of 2-[Aryl(alkyl)amino]malonates with Chloroethynylphosphonates
- Авторы: Egorova A.1,2, Boyarskaya I.3, Dogadina A.1
-
Учреждения:
- St. Petersburg State Institute of Technology
- Scientific Research Center for Environmental Safety Russian
- St. Petersburg State University
- Выпуск: Том 89, № 10 (2019)
- Страницы: 2005-2009
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/223107
- DOI: https://doi.org/10.1134/S1070363219100049
- ID: 223107
Цитировать
Аннотация
Preparative limitations of the reaction of chloroethynylphosphonates with 2-(alkylamino)malonates have been established. Unlike the reaction of chloroethynylphosphonates with 2-(arylamino)malonates which involve only the carbon nucleophilic center, 2-(alkylamino)malonates react through both carbon and nitrogen atoms. The geometric structural, energetic, and charge parameters of the optimized structures of aliphatic and aromatic diethyl 2-aminomalonates have been determined by quantum chemical calculations using Gaussian 03 software, and pKa values for both nucleophilic centers in their molecules have been calculated.
Ключевые слова
Об авторах
A. Egorova
St. Petersburg State Institute of Technology; Scientific Research Center for Environmental Safety Russian
Email: dog_alla@mail.ru
Россия, St. Petersburg; St. Petersburg
I. Boyarskaya
St. Petersburg State University
Email: dog_alla@mail.ru
Россия, St. Petersburg
A. Dogadina
St. Petersburg State Institute of Technology
Автор, ответственный за переписку.
Email: dog_alla@mail.ru
Россия, St. Petersburg