Methyl 4-bromobutyrate (C5H9BrO2)

Looking for routes to Methyl 4-bromobutyrate? Methyl 4-bromobutyrate presents a C5 framework, halogen substitution. Use the planner with prefilled SMILES, or copy COC(=O)CCCBr (CAS 4897-84-1).

Target: Methyl 4-bromobutyrate
CAS: 4897-84-1
Formula: C5H9BrO2
Approx. MW: 181.03
SMILES: COC(=O)CCCBr
PubChem CID: 107604
Approx. carbons: C5

Methyl 4-bromobutyrate structure

Properties

Molecular weight: 181.03

View on PubChem

Methyl 4-bromobutyrate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl 4-bromobutyrate?

Methyl 4-bromobutyrate has molecular formula C5H9BrO2. Molecular weight about 181.03 g·mol⁻¹.

What is the CAS number of Methyl 4-bromobutyrate?

The CAS Registry Number for Methyl 4-bromobutyrate is 4897-84-1.

Run AI retrosynthesis for Methyl 4-bromobutyrate Target catalog AI tools overview

One click loads Methyl 4-bromobutyrate into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

Ethyl 2-bromopropionate Ethyl 3-bromopropanoate (RS)-2-Methylbutyryl chloride 1-Bromo-3-Methylbutane 1-Bromo-5-chloropentane 1-Bromopentane

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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.