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CS-W001157 4
Total: USD 88.00

Methyl 8-bromooctanoate

  • CAS No. 26825-92-3

  • Cat. No. CS-0129057
  • Molecule weight237.14
  • Purity≥96%
  • MDL No.MFCD02258673

*For research and further manufacturing use only, not for direct human use.

Methyl 8-bromooctanoate|CS-0129057

Structure of 26825-92-3

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General Information

  • CAS No. 26825-92-3
  • Cat. No. CS-0129057
  • Purity ≥96%
  • MDL No. MFCD02258673
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₇BrO₂
  • Molecular Weight 237.14
  • Synonym(s) None
  • SMILES O=C(OC)CCCCCCCBr

Description

Methyl 8-bromooctanoate features a bromine substituent at the ω-position of an octanoate chain, enabling direct functionalization in late-stage synthesis. This terminal halogen facilitates efficient cross-coupling reactions and serves as a key building block for bioactive molecules requiring tailored alkyl chain length and reactive handles.

Application

Methyl 8-bromooctanoate serves as a versatile synthetic intermediate for the construction of brominated alkyl chains and heterocyclic scaffolds. Its terminal bromide enables efficient Suzuki, Negishi, and Stille couplings, while the ester group offers compatibility with standard reductions, hydrolyses, and nucleophilic substitutions. Bench-stable and readily purified by distillation or column chromatography, it functions reliably in multi-step syntheses targeting bioactive molecules and functional materials.

Synthesis

  • Route1
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      186581-53-3
    • In-stock
      8-Bromooctanoic acid|CS-W007700
      17696-11-6
    • ~%
    • In-stock
      Methyl 8-bromooctanoate|CS-0129057
      26825-92-3

    References

    • Grigsby, Robert A.; Irgolic, Kurt J.; Knapp, Furn F. Journal of Organometallic Chemistry, 1983 , vol. 253, # 1 p. 31 - 38
  • Route2

    References

    • Nakatani; Fukunaga; Haraguchi; et al. Bulletin of the Chemical Society of Japan, 1986 , vol. 59, # 11 p. 3535 - 3539
  • Route3
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      67-56-1
    • null|null
      73674-09-6
    • ~%
    • In-stock
      Methyl 8-bromooctanoate|CS-0129057
      26825-92-3

    References

    • Zradni, Fatima-Zohra; Hamelin, Jack; Derdour, Aicha Molecules, 2007 , vol. 12, # 3 p. 439 - 454

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8949
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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