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CS-W001157 4
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1-(2-Ethynylphenyl)ethanone

  • CAS No. 104190-22-9

  • Cat. No. CS-0188000
  • Purity≥98%
  • MDL No.None

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

1-(2-Ethynylphenyl)ethanone|CS-0188000

Structure of 104190-22-9

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General Information

  • CAS No. 104190-22-9
  • Cat. No. CS-0188000
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O
  • Molecular Weight 144.17
  • Synonym(s) Ethanone,1-(2-ethynylphenyl)-(9CI)
  • SMILES C#CC1=CC=CC=C1C(=O)C

Description

1-(2-Ethynylphenyl)ethanone features a conjugated alkyne-aryl ketone scaffold, enabling efficient coupling in transition metal-catalyzed transformations. This bench-stable, moisture-tolerant reagent integrates readily into synthetic sequences requiring orthogonal functional handles, offering high chemoselectivity and compatibility with diverse reaction conditions.

Application

1-(2-Ethynylphenyl)ethanone serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to biaryl and heterocyclic scaffolds. Its ortho-alkynyl functionality facilitates cyclization processes and acts as a key intermediate in the synthesis of polycyclic aromatic systems. The molecule exhibits excellent bench stability and compatibility with standard reaction conditions, facilitating straightforward purification and integration into multi-step synthetic sequences.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.8705
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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