The Kolbe-Schmitt reaction is an organic reaction used to convert a phenol to a hydroxy benzoic acid using carbon dioxide gas, a base, and acid work-up. Synthesis of Carboxylated-Graphenes by the Kolbe–Schmitt Process. Alex Yong . Last Step of the Para Route of the Kolbe−Schmitt Reaction. The key compound in the synthesis of aspirin is salicylic acid which is prepared from phenol by a process known as Kolbe- Schmitt reaction or.


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The mechanism agrees with the experimental data related to the Kolbe-Schmitt reaction. Introduction intermediate complex, at the temperature employed.

Kolbe-Schmitt Reaction

For the sodium phenoxide-carbon dioxide kolbe schmitt reaction In Kolbe prepared salicylic acid by heating a NaOPh-CO2the kolbe schmitt reaction pressure at tempera- mixture of phenol and sodium in the presence of car- tures above C lies between 3 and 4 atm [6]. A modification of nation of the structure of the intermediate NaOPh- the Kolbe reaction, performed under enhanced pres- CO2 complex [3].

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  • Kolbe Schmitt Reaction

Schmitt supposed that the reaction sure, was carried out in by Schmitt [2]. This occurred with the formation of alkali metal kolbe schmitt reaction modification significantly increased the yield of sali- carbonate PhO-CO2 Na as a plausible intermedi- cylic acid. The carboxylation reaction of alkali metal ate [2].

Kolbe Schmitt Reaction

This idea was also supported by Hentschel [7]. It is worth kolbe schmitt reaction that if potas- an intramolecular reaction with displacement of the sium phenoxide is used instead of sodium phenoxide, ortho-hydrogen by electrophilic attack [10].


The in- p-hydroxy benzoic acid is formed in excess, imposing tramolecular mechanism is supported by the absence that the distribution of products in the Kolbe-Schmitt of disodium salicylate in the carboxylation products. A kolbe schmitt reaction of kolbe schmitt reaction intermediate complex, where the The Kolbe-Schmitt reaction has been used in industry -electrons of sodium phenoxide are attracted by car- since [4].

More the pressure between 80 and atm [5]. The minimal details on experimental aspects of the Kolbe-Schmitt pressure required for a quantitative carbonation prob- reaction, as well as on its mechanism, can be found ably corresponds to the dissociation pressure of the in the review [3].

For better understanding, all C-atoms are represented by grey circles, and labelled by numbers.


The same notation is used in Figs. The structure of solvent-free sodium phenoxide performed at - C, where the introduction of was recently determined [11]. It was found that kolbe schmitt reaction dioxide caused a large amount of phenol to solvent-free sodium phenoxide crystallised, forming distil [12].

Kolbe–Schmitt reaction

In addition, the melting point of sodium polymeric chains, kolbe schmitt reaction the four-membered ring chain phenoxide is 61 - 64 C, imposing that the crystal was separated by oxoligands [11].

This work also structure of sodium phenoxide has to be destroyed provides valuable information on the Kolbe-Schmitt under the conditions of the Kolbe-Schmitt reaction. It was shown, on the basis of For these reasons, we investigate the mechanism of the FT-IR study, that the NaOPh-CO2 complex, when this reaction in the gas phase and assume that this exposed to higher temperatures, underwent an irre- approximation is reasonable.

For the Kolbe schmitt reaction that a further intermediate of the Kolbe-Schmitt reac- calculations we use the hybrid gradient corrected ex- tion was formed.

Simplified chemistry concepts: Chemistry: Aspirin synthesis and Kolbe - Schmitt Reaction

This assumption was also confirmed change functional proposed by Becke [13, 14], kolbe schmitt reaction by the DTA studies [11]. On the basis of these inves- bined with the gradient-corrected correlation func- tigations, two intermediates can be expected in the tional of Lee, Yang, and Parr [14].


This functional, Kolbe schmitt reaction reaction. In this of the XIX century, the elucidation of its mechanism work, geometrical optimisations for all compounds has not been accomplished.

The tion has not been considered by means of theoreti- first row atoms are described by the double zeta basis cal methods.

In this paper we report the results of a Dunning-Hay [16]. Quantum chemical calculations theoretical examination of the reaction between car- are performed by means of the Gaussian 98 kolbe schmitt reaction bon dioxide and sodium phenoxide.

Kolbe-Schmitt reaction

It is well-known package kolbe schmitt reaction. For the reaction in the meta position, ture is a ground state zero imaginary frequencies a reaction path, as well as a transition state are not re- or a transition state one imaginary frequency.

According to the Results Curtin-Hammond principle, the kolbe schmitt reaction distribution is determined by the difference of free energies of the There are two positions in a sodium phenoxide two transition states.

These two about