2-Bromohexane (C6H13Br)
Looking for routes to 2-Bromohexane?
2-Bromohexane presents a C6 framework, halogen substitution. Use the planner with prefilled SMILES, or copy
CCCCC(C)Br
(CAS 3377-86-4).
Properties
Example route
AI-precomputed example (not literature-verified). Full route page
Convert 2-hexanol to 2-bromohexane with HBr or PBr₃. … (2 steps total)
Convert 2-hexanol to 2-bromohexane with HBr or PBr₃. → Assemble 2-hexanol from butylmagnesium bromide and acetaldehyde. The Grignard addition gives the secondary alcohol directly—no separate reduction step.
2-Bromohexane 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of 2-Bromohexane?
2-Bromohexane has molecular formula C6H13Br. Molecular weight about 165.07 g·mol⁻¹.
How can 2-Bromohexane be synthesized?
Convert 2-hexanol to 2-bromohexane with HBr or PBr₃. Then Assemble 2-hexanol from butylmagnesium bromide and acetaldehyde. The Grignard addition gives the secondary alcohol directly—no separate reduction step.
What is the CAS number of 2-Bromohexane?
The CAS Registry Number for 2-Bromohexane is 3377-86-4.
Start from this SMILES and explore AI retrosynthesis routes for C6H13Br.
Related targets
Similar compounds
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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.