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CS-W001157 4
Total: USD 88.00

4-(Cyclopropylethynyl)benzoic acid

  • CAS No. 908247-29-0

  • Cat. No. CS-0132657
  • Purity≥97%
  • MDL No.MFCD17171061

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

4-(Cyclopropylethynyl)benzoic acid|CS-0132657

Structure of 908247-29-0

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General Information

  • CAS No. 908247-29-0
  • Cat. No. CS-0132657
  • Purity ≥97%
  • MDL No. MFCD17171061
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₂
  • Molecular Weight 186.21
  • Synonym(s) 4-cyclopropylethynylbenzoic acid
  • SMILES OC(C1=CC=C(C#CC2CC2)C=C1)=O

Description

4-(Cyclopropylethynyl)benzoic acid features a rigid, electron-deficient aryl ring paired with a sterically constrained cyclopropylethynyl group, enabling selective coupling in late-stage functionalization. This robust scaffold integrates readily into bioactive architectures under standard conditions, offering enhanced metabolic stability and favorable pharmacokinetic properties.

Application

4-(Cyclopropylethynyl)benzoic acid serves as a versatile building block for the synthesis of functionalized aromatic systems, enabling efficient Sonogashira coupling reactions under standard conditions. The terminal alkyne moiety exhibits high stability and compatibility with diverse functional groups, facilitating downstream derivatization in medicinal chemistry and materials science. Its carboxylic acid handle allows direct incorporation into amides, esters, or heterocyclic scaffolds, supporting rapid access to bioactive compounds and conjugated architectures.

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.1463
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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