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CS-W001157 4
Total: USD 88.00

Methyl 7-bromoheptanoate

  • CAS No. 54049-24-0

  • Cat. No. CS-W004688
  • Purity≥97%
  • MDL No.MFCD02258672

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

Methyl 7-bromoheptanoate|CS-W004688

Structure of 54049-24-0

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General Information

  • CAS No. 54049-24-0
  • Cat. No. CS-W004688
  • Purity ≥97%
  • MDL No. MFCD02258672
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₅BrO₂
  • Molecular Weight 223.11
  • Synonym(s) None
  • SMILES O=C(OC)CCCCCCBr

Description

Methyl 7-bromoheptanoate is a brominated aliphatic ester featuring a terminal bromine atom on a seven-carbon chain. This electrophilic handle enables efficient functionalization in cross-coupling reactions and serves as a key intermediate in synthesizing bioactive molecules. The methyl ester group enhances solubility and reactivity under standard conditions.

Application

Methyl 7-bromoheptanoate serves as a versatile bromoalkyl building block for nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its terminal bromide enables efficient functionalization in late-stage diversification, while the ester group provides compatibility with standard synthetic transformations. The molecule exhibits good bench stability and facilitates clean purification, making it suitable for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      20965-27-9
    • ~67%
    • In-stock
      Methyl 7-bromoheptanoate|CS-W004688
      54049-24-0

    References

    • Lucet, Denis; Heyse, Philippe; Gissot, Arnaud; Le Gall, Thierry; Mioskowski, Charles European Journal of Organic Chemistry, 2000 , # 21 p. 3575 - 3579
  • Route2

    References

    • Tetrahedron Letters, , vol. 53, # 24 p. 3082 - 3085
  • Route3

    References

    • Bulletin of the Chemical Society of Japan, , vol. 59, # 11 p. 3535 - 3539

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5048
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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