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CS-W001157 4
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Methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate

  • CAS No. 6287-88-3

  • Cat. No. CS-0315744
  • Molecule weight240.28
  • Purity≥98%
  • MDL No.None

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

Methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate|CS-0315744

Structure of 6287-88-3

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General Information

  • CAS No. 6287-88-3
  • Cat. No. CS-0315744
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₄S
  • Molecular Weight 240.28
  • Synonym(s) Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
  • SMILES O=C(OC)C1=CC=CC=C1SCC(OC)=O

Synthesis

  • Route1

    References

    • Hansen, Finn K.; Khankischpur, Mehdi; Tolaymat, Ibrahim; Mesaros, Renata; Dannhardt, Gerd; Geffken, Detlef Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 15 p. 5031 - 5034
  • Route2

    References

    • Cabiddu, M.Grazia; Cabiddu, Salvatore; Cadoni, Enzo; Demontis, Stefania; Fattuoni, Claudia; Melis, Stefana Tetrahedron, 2002 , vol. 58, # 22 p. 4529 - 4533
  • Route3
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      67-56-1
    • 2-((Carboxymethyl)thio)benzoic acid|CS-0269504
      135-13-7
    • ~%
    • Methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate|CS-0315744
      6287-88-3

    References

    • Friedlaender Chemische Berichte, 1906 , vol. 39, p. 1062 Justus Liebigs Annalen der Chemie, 1907 , vol. 351, p. 407 Full Text Show Details Wegscheider; Joachimowitz Monatshefte fuer Chemie, 1914 , vol. 35, p. 1046

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   52.6
  • LogP   1.7383
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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