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CS-W001157 4
Total: USD 88.00

8-Bromocaprylic acid ethyl ester

  • CAS No. 29823-21-0

  • Cat. No. CS-D1735
  • Purity≥97%
  • MDL No.MFCD00045057

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

8-Bromocaprylic acid ethyl ester|CS-D1735

Structure of 29823-21-0

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General Information

  • CAS No. 29823-21-0
  • Cat. No. CS-D1735
  • Purity ≥97%
  • MDL No. MFCD00045057
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₉BrO₂
  • Molecular Weight 251.16
  • Synonym(s) None
  • SMILES O=C(OCC)CCCCCCCBr

Description

8-Bromocaprylic acid ethyl ester features a brominated aliphatic chain terminating in an ethyl ester group, enabling direct incorporation into lipid-based conjugation strategies. This moiety offers enhanced metabolic stability and facilitates site-specific labeling in bioconjugation workflows.

Application

8-Bromocaprylic acid ethyl ester serves as a versatile brominated alkyl building block for nucleophilic substitution and cross-coupling reactions. Its terminal bromide enables efficient functionalization in Suzuki-Miyaura and Negishi couplings, while the ester group offers compatibility with standard reduction and hydrolysis protocols. Bench-stable and readily purified by column chromatography, it functions as a key intermediate in the synthesis of bioactive aliphatic scaffolds and drug candidates requiring controlled chain length and halogen handles.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      8-Bromooctanoic acid|CS-W007700
      17696-11-6
    • ~96%
    • In-stock
      8-Bromocaprylic acid ethyl ester|CS-D1735
      29823-21-0

    References

    • Soltero, Richard; Radhakrishnan, Balasingam; Ekwuribe, Nnochiri N. Patent: US2003/229009 A1, 2003 ; Location in patent: Page 38 ;
  • Route2

    References

    • Kuraray Company, Ltd. Patent: US4510331 A1, 1985 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      8-Bromooctanoic acid|CS-W007700
      17696-11-6
    • ~94%
    • In-stock
      8-Bromocaprylic acid ethyl ester|CS-D1735
      29823-21-0

    References

    • ALNYLAM PHARMACEUTICALS, INC.; ANSELL, Steven, Michial; DU, Xinyao Patent: WO2013/86322 A1, 2013 ; Location in patent: Page/Page column 50; 51 ;

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   3.285
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   8

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