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- Title
Reaction of 2-[Aryl(alkyl)amino]malonates with Chloroethynylphosphonates.
- Authors
Egorova, A. V.; Boyarskaya, I. A.; Dogadina, A. V.
- Abstract
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.
- Subjects
MALONATES; CHEMICAL structure; ATOMS; NUCLEOPHILIC reactions; MOLECULES; CARBON; BASICITY
- Publication
Russian Journal of General Chemistry, 2019, Vol 89, Issue 10, p2005
- ISSN
1070-3632
- Publication type
Article
- DOI
10.1134/S1070363219100049