Reaction of 2-[Aryl(alkyl)amino]malonates with Chloroethynylphosphonates
- 作者: Egorova A.1,2, Boyarskaya I.3, Dogadina A.1
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隶属关系:
- St. Petersburg State Institute of Technology
- Scientific Research Center for Environmental Safety Russian
- St. Petersburg State University
- 期: 卷 89, 编号 10 (2019)
- 页面: 2005-2009
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/223107
- DOI: https://doi.org/10.1134/S1070363219100049
- ID: 223107
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详细
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.
作者简介
A. Egorova
St. Petersburg State Institute of Technology; Scientific Research Center for Environmental Safety Russian
Email: dog_alla@mail.ru
俄罗斯联邦, St. Petersburg; St. Petersburg
I. Boyarskaya
St. Petersburg State University
Email: dog_alla@mail.ru
俄罗斯联邦, St. Petersburg
A. Dogadina
St. Petersburg State Institute of Technology
编辑信件的主要联系方式.
Email: dog_alla@mail.ru
俄罗斯联邦, St. Petersburg