Mechanism of Formation of N-Methyl-N-[2-(diphenylphosphoryl)-ethyl]amide of (Diphenylphosphoryl)acetic Acid

The mechanism of formation of N -methyl-2-(diphenylphosphoryl)acetamide was studied by DFT. The first stage, the reaction of trichlorophosphine with 2-(diphenylphosphoryl)acetic acid, involves three elementary steps, and the explicit inclusion of solvent makes it possible to reduce the activation en...

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Bibliographic Details
Published in:Russian journal of organic chemistry 2023-02, Vol.59 (2), p.265-269
Main Authors: Kuznetsova, A. A., Chachkov, D. V., Artyushin, O. I., Bondarenko, N. A., Vereshchagina, Ya. A.
Format: Article
Language:English
Subjects:
Acetic acid
Acetyl chloride
Chemistry
Chemistry and Materials Science
Organic Chemistry
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Summary:The mechanism of formation of N -methyl-2-(diphenylphosphoryl)acetamide was studied by DFT. The first stage, the reaction of trichlorophosphine with 2-(diphenylphosphoryl)acetic acid, involves three elementary steps, and the explicit inclusion of solvent makes it possible to reduce the activation energy of each of them. The second stage, the reaction of 2-(diphenylphosphoryl)acetyl chloride with a phosphoryl-substituted amine, involves one elementary step.
ISSN:1070-4280
1608-3393
DOI:10.1134/S1070428023020069