Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-Ethynylbenzoic acid

  • CAS No. 10601-99-7

  • Cat. No. CS-0044005
  • Purity≥98%
  • MDL No.MFCD06658448

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

3-Ethynylbenzoic acid|CS-0044005

Structure of 10601-99-7

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 10601-99-7
  • Cat. No. CS-0044005
  • Purity ≥98%
  • MDL No. MFCD06658448
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₂
  • Molecular Weight 146.14
  • Synonym(s) 3-ethynyl-benzoic acid
  • SMILES O=C(O)C1=CC=CC(C#C)=C1

Description

3-Ethynylbenzoic acid features a terminal alkyne group ortho to a carboxylic acid, enabling efficient copper-catalyzed coupling reactions. This conjugated system delivers enhanced reactivity in click chemistry protocols and facilitates integration into bioconjugates, polymers, and functionalized surfaces under mild conditions.

Application

3-Ethynylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated systems via palladium-catalyzed coupling reactions. The terminal alkyne functionality facilitates click chemistry and Sonogashira couplings, while the carboxylic acid group supports direct derivatization or incorporation into heterocyclic scaffolds. Its bench-stable nature and compatibility with diverse functional groups make it ideal for modular synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • Methyl 3-((trimethylsilyl)ethynyl)benzoate|CS-0253884
      77123-59-2
    • ~99%
    • In-stock
      3-Ethynylbenzoic acid|CS-0044005
      10601-99-7

    References

    • Suzuki, Takayoshi; Ota, Yosuke; Ri, Masaki; Bando, Masashige; Gotoh, Aogu; Itoh, Yukihiro; Tsumoto, Hiroki; Tatum, Prima R.; Mizukami, Tamio; Nakagawa, Hidehiko; Iida, Shinsuke; Ueda, Ryuzo; Shirahige, Katsuhiko; Miyata, Naoki Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 9562 - 9575
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 31, p. 2585 - 2593
  • Route3
    • 3-(Carboxyethynyl)benzoic acid|CS-0972526
      870245-85-5
    • ~%
    • In-stock
      3-Ethynylbenzoic acid|CS-0044005
      10601-99-7

    References

    • Journal of Organic Chemistry, , vol. 31, p. 2585 - 2593

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.3661
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-Ethynylbenzoic acid sigma3-Ethynylbenzoic acid manufacturer3-Ethynylbenzoic acid price3-Ethynylbenzoic acid structure3-Ethynylbenzoic acid SDSbuy 3-Ethynylbenzoic acid3-Ethynylbenzoic acid supplier3-Ethynylbenzoic acid uses3-Ethynylbenzoic acid molecular weightprice of 3-Ethynylbenzoic acid3-Ethynylbenzoic acid chemical name formula of 3-Ethynylbenzoic acid
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label