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Methyl 4-oxotetrahydrothiophene-3-carboxylate

  • CAS No. 2689-68-1

  • Cat. No. CS-0106054
  • Purity≥95%
  • MDL No.MFCD00052381

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

Methyl 4-oxotetrahydrothiophene-3-carboxylate|CS-0106054

Structure of 2689-68-1

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General Information

  • CAS No. 2689-68-1
  • Cat. No. CS-0106054
  • Purity ≥95%
  • MDL No. MFCD00052381
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃S
  • Molecular Weight 160.19
  • Synonym(s) Methyl tetrahydro-4-oxo-3-thiophenecarboxylate
  • SMILES O=C(C1CSCC1=O)OC

Synthesis

  • Route1

    References

    • LAILA NUTRACEUTICALS Patent: US2010/68178 A1, 2010 ; Location in patent: Page/Page column 17 ;
  • Route2

    References

    • MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 24-25 ;
  • Route3
    • null|null
      292638-85-8
    • ~46%
    • In-stock
      Methyl 4-oxotetrahydrothiophene-3-carboxylate|CS-0106054
      2689-68-1

    References

    • ELI LILLY AND COMPANY Patent: WO2004/94400 A2, 2004 ; Location in patent: Page 41 ; WO 2004/094400 A2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.0915
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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