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CS-W001157 4
Total: USD 88.00

Phenylsulfonylacetone

  • CAS No. 5000-44-2

  • Cat. No. CS-0204645
  • Purity≥97%
  • MDL No.MFCD00047794

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

Phenylsulfonylacetone|CS-0204645

Structure of 5000-44-2

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General Information

  • CAS No. 5000-44-2
  • Cat. No. CS-0204645
  • Purity ≥97%
  • MDL No. MFCD00047794
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃S
  • Molecular Weight 198.24
  • Synonym(s) 1-(Phenylsulfonyl)propan-2-one
  • SMILES O=C(C)CS(=O)(=O)C=1C=CC=CC1

Description

Phenylsulfonylacetone features a sulfonyl group flanked by an aromatic ring and a reactive ketone, enabling direct functionalization at the alpha carbon. This electron-deficient carbonyl system supports efficient Michael additions and acts as a key synthon in heterocyclic synthesis. The compound exhibits robust stability under standard bench conditions and integrates seamlessly into multi-step sequences.

Application

Phenylsulfonylacetone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of sulfonamide-containing heterocycles and functionalized carbonyl systems. Its α-dicarbonyl character facilitates nucleophilic additions and condensation reactions, while the phenylsulfonyl group provides robust stability and orthogonal reactivity. This compound functions effectively in multistep syntheses requiring bench-stable, selectively reactive intermediates with high purification compatibility.

Synthesis

  • Route1
    • 1-(Phenylthio)propan-2-one|CS-0453137
      5042-53-5
    • ~99%
    • In-stock
      Phenylsulfonylacetone|CS-0204645
      5000-44-2

    References

    • Rahimizadeh, Mohammad; Rajabzadeh, Ghadir; Khatami, Seyed-Mola; Eshghi, Hossein; Shiri, Ali Journal of Molecular Catalysis A: Chemical, 2010 , vol. 323, # 1-2 p. 59 - 64
  • Route2
    • null|null
      109787-38-4
    • ~22%
    • null|null
      82352-33-8
    • In-stock
      Phenylsulfonylacetone|CS-0204645
      5000-44-2

    References

    • Denmark, S. E.; Harmata, M. A. Journal of the American Chemical Society, 1982 , vol. 104, # 18 p. 4972 - 4974
  • Route3
    • null|null
      123209-24-5
    • ~15%
    • null|null
      82352-33-8
    • In-stock
      Phenylsulfonylacetone|CS-0204645
      5000-44-2

    References

    • Denmark, S. E.; Harmata, M. A. Journal of the American Chemical Society, 1982 , vol. 104, # 18 p. 4972 - 4974

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   1.0493
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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