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What is the mechanism of the conversion of 2-methylpropylbenzene and carbon dioxide into ibuprofen in the presence of a catalyst, and how can the yield of ibuprofen be optimized?

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The conversion of 2-methylpropylbenzene  also known as isobutylbenzene  and carbon dioxide into ibuprofen can be achieved through a series of chemical reactions. The overall process can be divided into three main steps: carboxylation, Friedel-Crafts acylation, and hydrolysis. A catalyst is used to facilitate these reactions and improve the yield of ibuprofen.1. Carboxylation: In the first step, 2-methylpropylbenzene reacts with carbon dioxide in the presence of a catalyst, such as an organometallic compound  e.g., Grignard reagent or an organolithium compound . The catalyst activates the carbon dioxide, allowing it to react with the 2-methylpropylbenzene to form a carboxylated intermediate.2. Friedel-Crafts Acylation: In the second step, the carboxylated intermediate undergoes Friedel-Crafts acylation. This reaction involves the use of an acylating agent, such as acetyl chloride or acetic anhydride, and a Lewis acid catalyst, such as aluminum chloride  AlCl3  or boron trifluoride  BF3 . The acylating agent reacts with the carboxylated intermediate, introducing an acyl group to the aromatic ring and forming a ketone intermediate.3. Hydrolysis: In the final step, the ketone intermediate is hydrolyzed under acidic or basic conditions to form ibuprofen. This reaction involves the addition of water, which breaks the ketone group and forms the carboxylic acid functional group present in ibuprofen.To optimize the yield of ibuprofen, several factors can be considered:a. Reaction conditions: The temperature, pressure, and reaction time can be optimized to improve the conversion of reactants to products. For example, higher temperatures can increase the reaction rate, but excessive heat may lead to side reactions and decreased yield.b. Catalyst selection: Choosing the appropriate catalysts for each step can significantly impact the reaction efficiency. The catalysts should be highly selective and active to minimize side reactions and improve the overall yield.c. Reactant ratios: The stoichiometric ratios of reactants can be optimized to ensure that all reactants are efficiently converted into the desired product. Excess reactants may lead to side reactions and decreased yield.d. Purification and separation techniques: Efficient separation and purification techniques can help to isolate the desired product from side products and unreacted starting materials, improving the overall yield of ibuprofen.By carefully optimizing these factors, the yield of ibuprofen from the conversion of 2-methylpropylbenzene and carbon dioxide can be maximized.
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