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CS-W001157 4
Total: USD 88.00

2-(Prop-2-yn-1-yloxy)acetic acid

  • CAS No. 98021-61-5

  • Cat. No. CS-0070099
  • Purity≥97%
  • MDL No.MFCD10694017

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

2-(Prop-2-yn-1-yloxy)acetic acid|CS-0070099

Structure of 98021-61-5

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General Information

  • CAS No. 98021-61-5
  • Cat. No. CS-0070099
  • Purity ≥97%
  • MDL No. MFCD10694017
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆O₃
  • Molecular Weight 114.10
  • Synonym(s) None
  • SMILES O=C(O)COCC#C

Description

This propargylic ether-acid integrates a reactive alkyne handle with a carboxylic acid functionality, enabling efficient copper-catalyzed click conjugation and site-specific bioconjugation. The terminal alkyne moiety facilitates robust coupling under mild conditions, while the pendant acid group supports further derivatization or salt formation.

Application

2-(Prop-2-yn-1-yloxy)acetic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient introduction of propargylic ether functionalities. Its terminal alkyne group facilitates reliable copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the carboxylic acid moiety supports straightforward derivatization and purification. The compound exhibits good bench stability and functional group tolerance, making it well-suited for modular synthesis of bioactive heterocycles and conjugate systems in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Yamamoto, Makoto; Dewa, Toshikazu; Munakata, Hiroshi; Kohmoto, Shigeo; Yamada, Kazutoshi Journal of Chemical Research, Miniprint, 1991 , # 7 p. 1771 - 1782
  • Route2
    • null|null
      107-19-7
    • null|null
      79-11-8
    • ~33%
    • In-stock
      2-(Prop-2-yn-1-yloxy)acetic acid|CS-0070099
      98021-61-5

    References

    • Gilchrist, Thomas L.; Wasson, Robert C.; King, Frank D.; Wootton, Gordon Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987 , p. 2517 - 2522

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   -0.2792
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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