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CS-W001157 4
Total: USD 88.00

Methyl 3-oxo-3-(thiophen-3-yl)propanoate

  • CAS No. 185515-21-3

  • Cat. No. CS-0302066
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD11974576

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

Methyl 3-oxo-3-(thiophen-3-yl)propanoate|CS-0302066

Structure of 185515-21-3

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General Information

  • CAS No. 185515-21-3
  • Cat. No. CS-0302066
  • Purity ≥95%
  • MDL No. MFCD11974576
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃S
  • Molecular Weight None
  • Synonym(s) methyl 3-oxo-3-thiophen-3-yl-propanoate
  • SMILES COC(=O)CC(=O)C1=CSC=C1

Synthesis

  • Route1

    References

    • Adir et Compagnie Patent: US5684020 A1, 1997 ; US 5684020 A
  • Route2
    • null|null
      41507-35-1
    • null|null
      38330-80-2
    • ~72%
    • In-stock
      Methyl 3-oxo-3-(thiophen-3-yl)propanoate|CS-0302066
      185515-21-3

    References

    • Garzino, Frederic; Meou, Alain; Brun, Pierre Helvetica Chimica Acta, 2002 , vol. 85, # 7 p. 1989 - 1998
  • Route3
    • null|null
      41507-35-1
    • null|null
      79-20-9
    • ~%
    • In-stock
      Methyl 3-oxo-3-(thiophen-3-yl)propanoate|CS-0302066
      185515-21-3

    References

    • Phun, Lien H.; Patil, Dadasaheb V.; Cavitt, Marchello A.; France, Stefan Organic Letters, 2011 , vol. 13, # 8 p. 1952 - 1955

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.4939
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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