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CS-W001157 4
Total: USD 88.00

3-(4-(methylsulfonyl)phenyl)acrylic acid

  • CAS No. 5345-30-2

  • Cat. No. CS-0511391
  • Molecule weight226.25
  • Purity≥98%
  • MDL No.MFCD00203126

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

3-(4-(methylsulfonyl)phenyl)acrylic acid|CS-0511391

Structure of 5345-30-2

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General Information

  • CAS No. 5345-30-2
  • Cat. No. CS-0511391
  • Purity ≥98%
  • MDL No. MFCD00203126
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄S
  • Molecular Weight 226.25
  • Synonym(s) None
  • SMILES O=C(O)/C=C/C1=CC=C(S(=O)(C)=O)C=C1

Synthesis

  • Route1
    • null|null
      141-82-2
    • Benzaldehyde, p-(methylsulfonyl)-|CS-0653660
      5398-77-6
    • ~85%
    • 3-(4-(methylsulfonyl)phenyl)acrylic acid|CS-0511391
      5345-30-2

    References

    • Wu; Schumacher; Tormos; Clark; Murphy Journal of Organic Chemistry, 1997 , vol. 62, # 9 p. 2996 - 2998
  • Route2
    • null|null
      7681-38-1
    • Ethyl 4-methanesulfonylcinnamate|CS-0163253
      137473-27-9
    • ~%
    • 3-(4-(methylsulfonyl)phenyl)acrylic acid|CS-0511391
      5345-30-2

    References

    • US2003/195190 A1, ; US 20030195190 A1
  • Route3
    • (E)-3-(4-(Methylthio)phenyl)acrylic acid|CS-1639065
      140134-65-2
    • ~77%
    • 3-(4-(methylsulfonyl)phenyl)acrylic acid|CS-0511391
      5345-30-2

    References

    • Ishihara; Kato; Goto Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 12 p. 3236 - 3243

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.1879
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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