Reaction of 2-[Aryl(alkyl)amino]malonates with Chloroethynylphosphonates
- Autores: Egorova A.1,2, Boyarskaya I.3, Dogadina A.1
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Afiliações:
- St. Petersburg State Institute of Technology
- Scientific Research Center for Environmental Safety Russian
- St. Petersburg State University
- Edição: Volume 89, Nº 10 (2019)
- Páginas: 2005-2009
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/223107
- DOI: https://doi.org/10.1134/S1070363219100049
- ID: 223107
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Resumo
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.
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Sobre autores
A. Egorova
St. Petersburg State Institute of Technology; Scientific Research Center for Environmental Safety Russian
Email: dog_alla@mail.ru
Rússia, St. Petersburg; St. Petersburg
I. Boyarskaya
St. Petersburg State University
Email: dog_alla@mail.ru
Rússia, St. Petersburg
A. Dogadina
St. Petersburg State Institute of Technology
Autor responsável pela correspondência
Email: dog_alla@mail.ru
Rússia, St. Petersburg