Aspirin Synthesis from Phenol
Illustrative AI-precomputed disconnections only. Use the planner for evidence-ranked routes with literature when available.
Target: Aspirin (C9H8O4) · CAS 50-78-2
Share: https://reaction.chemicaltool.com/ko/routes/aspirin ·
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Step 1 (Esterification):
Acetylate salicylic acid with acetic anhydride (often catalytic acid) to give aspirin.
Reactants:Oc1ccccc1C(=O)O.CC(=O)OC(C)=O
Products:CC(=O)Oc1ccccc1C(=O)O
No literature evidence -
Step 2 (Kolbe–Schmitt (conceptual)):
Prepare salicylic acid from phenol via carboxylation at elevated temperature and pressure.
Reactants:Oc1ccccc1
Products:Oc1ccccc1C(=O)O
No literature evidence
References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.