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CS-W001157 4
Total: USD 88.00

Phenylpropiolic acid

  • CAS No. 637-44-5

  • Cat. No. CS-W007319
  • Purity≥97%
  • MDL No.MFCD00004361

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

Phenylpropiolic acid|CS-W007319

Structure of 637-44-5

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General Information

  • CAS No. 637-44-5
  • Cat. No. CS-W007319
  • Purity ≥97%
  • MDL No. MFCD00004361
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)C#CC1=CC=CC=C1

Application

Phenylpropiolic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enynes and heterocycles via [2+2] cycloadditions and metal-catalyzed couplings. Its terminal alkyne functionality exhibits excellent stability under standard bench conditions and tolerates diverse functional groups, facilitating straightforward purification and integration into complex molecular architectures.

Synthesis

  • Route1
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      471-25-0
    • ~97%
    • In-stock
      Phenylpropiolic acid|CS-W007319
      637-44-5

    References

    • Tetrahedron Letters, , vol. 53, # 7 p. 733 - 737
  • Route2
    • null|null
      124-38-9
    • null|null
      536-74-3
    • ~96%
    • In-stock
      Phenylpropiolic acid|CS-W007319
      637-44-5

    References

    • Advanced Synthesis and Catalysis, , vol. 352, # 17 p. 2913 - 2917
  • Route3
    • null|null
      124-38-9
    • null|null
      536-74-3
    • ~60%
    • In-stock
      1,4-Diphenylbuta-1,3-diyne|CS-W015501
      886-66-8
    • In-stock
      Phenylpropiolic acid|CS-W007319
      637-44-5

    References

    • WO2011/75087 A1, ; Page/Page column 14-15; 26 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.1227
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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