Example route: 2-Bromohexane
Illustrative AI-precomputed disconnections only. Use the planner for evidence-ranked routes with literature when available.
Target: 2-Bromohexane (C6H13Br) · CAS 3377-86-4
Share: https://reaction.chemicaltool.com/routes/2-bromohexane ·
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Step 1 (Alcohol substitution):
Convert 2-hexanol to 2-bromohexane with HBr or PBr₃.
Reactants:CCCCC(C)O
Products:CCCCC(C)Br
No literature evidence -
Step 2 (Grignard + aldehyde):
Assemble 2-hexanol from butylmagnesium bromide and acetaldehyde. The Grignard addition gives the secondary alcohol directly—no separate reduction step.
Reactants:CC=O.CCCC[Mg]Br
Products:CCCCC(C)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.