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CS-W001157 4
Total: USD 88.00

Oct-2-ynoic acid

  • CAS No. 5663-96-7

  • Cat. No. CS-0297443
  • Purity≥98%
  • MDL No.MFCD00004364

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

Oct-2-ynoic acid|CS-0297443

Structure of 5663-96-7

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General Information

  • CAS No. 5663-96-7
  • Cat. No. CS-0297443
  • Purity ≥98%
  • MDL No. MFCD00004364
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) 2-Octynoic acid
  • SMILES CCCCCC#CC(=O)O

Description

Oct-2-ynoic acid features a terminal alkyne group conjugated to a carboxylic acid, enabling efficient coupling reactions in click chemistry and molecular scaffold assembly. This linear, electron-deficient alkyne integrates readily into bioconjugation workflows under mild conditions.

Application

Oct-2-ynoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enynes and heterocyclic scaffolds via [2+2] cycloadditions or metal-catalyzed coupling reactions. Its terminal alkyne functionality offers high reactivity in Sonogashira and Huisgen-type transformations, while the carboxylic acid group facilitates direct derivatization or activation for peptide coupling protocols. The molecule exhibits excellent bench stability and is readily purified by standard chromatographic methods, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials development.

Synthesis

  • Route1
    • null|null
      1846-68-0
    • ~98%
    • In-stock
      Oct-2-ynoic acid|CS-0297443
      5663-96-7

    References

    • Hunsen, Mo Synthesis, 2005 , # 15 art. no. M00905SS, p. 2487 - 2490
  • Route2
    • 2-Octyn-1-ol|CS-0320711
      20739-58-6
    • ~92%
    • In-stock
      Oct-2-ynoic acid|CS-0297443
      5663-96-7

    References

    • Uyanik, Muhammet; Kazuaki, Kazuaki Organic Syntheses, 2012 , vol. 89, p. 105 - 114
  • Route3
    • null|null
      194856-65-0
    • ~%
    • In-stock
      Oct-2-ynoic acid|CS-0297443
      5663-96-7

    References

    • Synthetic Communications, , vol. 27, # 17 p. 2993 - 3026

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P280-P301+P330+P331-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6547
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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