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What are the appropriate reaction conditions for the successful synthesis of ibuprofen from 2-methylpropylbenzene and carbon dioxide using a cobalt catalyst and an organocatalyst? How can the yield and purity of the final product be optimized?

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The synthesis of ibuprofen from 2-methylpropylbenzene and carbon dioxide can be achieved through a two-step process: carboxylation and Friedel-Crafts acylation. A cobalt catalyst and an organocatalyst can be used to facilitate the carboxylation step.1. Carboxylation:In this step, 2-methylpropylbenzene is converted to 2-methylpropylbenzoic acid using carbon dioxide. The reaction conditions for this step are as follows:- Catalyst: A combination of a cobalt catalyst  such as CoBr2  and an organocatalyst  such as N-heterocyclic carbene or NHC  is used.- Temperature: The reaction is typically carried out at a temperature of 100-150C.- Pressure: Elevated CO2 pressure  around 30-50 bar  is required to facilitate the carboxylation reaction.- Solvent: A polar aprotic solvent, such as dimethylformamide  DMF  or dimethyl sulfoxide  DMSO , is used to dissolve the reactants and catalysts.2. Friedel-Crafts Acylation:In this step, 2-methylpropylbenzoic acid is converted to ibuprofen through Friedel-Crafts acylation with isobutyl chloroformate. The reaction conditions for this step are as follows:- Catalyst: A Lewis acid catalyst, such as aluminum chloride  AlCl3  or boron trifluoride  BF3 , is used.- Temperature: The reaction is typically carried out at a temperature of 0-25C.- Solvent: A non-polar solvent, such as dichloromethane  DCM  or chloroform, is used to dissolve the reactants and catalysts.To optimize the yield and purity of the final product, the following strategies can be employed:1. Use of excess CO2 in the carboxylation step to drive the reaction to completion.2. Careful control of temperature and pressure during the carboxylation step to avoid side reactions and decomposition of the catalysts.3. Use of anhydrous reaction conditions and freshly dried catalysts to prevent hydrolysis of the acid chloride intermediate in the Friedel-Crafts acylation step.4. Purification of the final product through recrystallization or column chromatography to remove any impurities and unreacted starting materials.
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