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CS-W001157 4
Total: USD 88.00

1-(4-(Methylthio)phenyl)ethanone

  • CAS No. 1778-09-2

  • Cat. No. CS-W017854
  • Purity≥98%
  • MDL No.MFCD00039835

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

1-(4-(Methylthio)phenyl)ethanone|CS-W017854

Structure of 1778-09-2

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General Information

  • CAS No. 1778-09-2
  • Cat. No. CS-W017854
  • Purity ≥98%
  • MDL No. MFCD00039835
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀OS
  • Molecular Weight 166.24
  • Synonym(s) 4-Methylthioacetophenone
  • SMILES CC(C1=CC=C(SC)C=C1)=O

Description

4-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported. It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst.4-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one.

Synthesis

  • Route1
    • null|null
      624-92-0
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • ~12%
    • In-stock
      1-(4-(Methylthio)phenyl)ethanone|CS-W017854
      1778-09-2

    References

    • Advanced Synthesis and Catalysis, , vol. 348, # 1-2 p. 236 - 242
  • Route2
    • null|null
      3908-55-2
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~89%
    • In-stock
      1-(4-(Methylthio)phenyl)ethanone|CS-W017854
      1778-09-2

    References

    • Synthetic Communications, , vol. 40, # 24 p. 3691 - 3698
  • Route3
    • In-stock
      4'-Fluoroacetophenone|CS-W020117
      403-42-9
    • null|null
      5188-07-8
    • ~90%
    • In-stock
      1-(4-(Methylthio)phenyl)ethanone|CS-W017854
      1778-09-2

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 20 p. 3951 - 3956

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6111
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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