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What is the optimal reaction conditions required for the synthesis of ibuprofen from 2-methylpropylbenzene and carbon dioxide using a carbonylation reaction mechanism?

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The synthesis of ibuprofen from 2-methylpropylbenzene and carbon dioxide using a carbonylation reaction mechanism involves several steps. The optimal reaction conditions for each step are as follows:1. Hydroxylation of 2-methylpropylbenzene: The first step is the hydroxylation of 2-methylpropylbenzene to form 2- 4-isobutylphenyl propanol. This can be achieved using a strong oxidizing agent like potassium permanganate  KMnO4  or osmium tetroxide  OsO4  in an alkaline medium. The reaction is typically carried out at room temperature  25C  for several hours.2. Carbonylation of 2- 4-isobutylphenyl propanol: The next step is the carbonylation of 2- 4-isobutylphenyl propanol to form 2- 4-isobutylphenyl propionic acid. This can be achieved using carbon monoxide  CO  as the carbonylating agent in the presence of a transition metal catalyst like palladium  Pd  or rhodium  Rh  complexed with a phosphine ligand. The reaction is typically carried out at elevated temperatures  100-150C  and high pressure  50-100 atm  for several hours.3. Esterification of 2- 4-isobutylphenyl propionic acid: The final step is the esterification of 2- 4-isobutylphenyl propionic acid to form ibuprofen. This can be achieved using an alcohol  e.g., isopropanol  in the presence of an acid catalyst like sulfuric acid  H2SO4  or p-toluenesulfonic acid  p-TsOH . The reaction is typically carried out at reflux temperature  around 80-90C  for several hours.In summary, the optimal reaction conditions for the synthesis of ibuprofen from 2-methylpropylbenzene and carbon dioxide using a carbonylation reaction mechanism are:1. Hydroxylation: Room temperature  25C , strong oxidizing agent, alkaline medium.2. Carbonylation: Elevated temperature  100-150C , high pressure  50-100 atm , transition metal catalyst, phosphine ligand.3. Esterification: Reflux temperature  80-90C , acid catalyst, alcohol as the esterifying agent.
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