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CS-W001157 4
Total: USD 88.00

Methyl 3-oxotetrahydrothiophene-2-carboxylate

  • CAS No. 2689-69-2

  • Cat. No. CS-W014330
  • Purity≥95%
  • MDL No.MFCD00156156

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

Methyl 3-oxotetrahydrothiophene-2-carboxylate|CS-W014330

Structure of 2689-69-2

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General Information

  • CAS No. 2689-69-2
  • Cat. No. CS-W014330
  • Purity ≥95%
  • MDL No. MFCD00156156
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₃S
  • Molecular Weight 160.19
  • Synonym(s) Methyl tetrahydro-3-oxo-2-thenoate
  • SMILES COC(=O)C1SCCC1=O

Synthesis

  • Route1

    References

    • MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. Patent: WO2006/97449 A1, 2006 ; Location in patent: Page/Page column 24-25 ;
  • Route2

    References

    • CELLZOME LIMITED; LYNCH, Rosemary; CANSFIELD, Andrew David; HARDY, Daniel Paul; FEUTRILL, John Thomas; ADREGO, Rita; ELLARD, Katie; LADDUWAHETTY, Tammy Patent: WO2013/50508 A1, 2013 ; Location in patent: Page/Page column 44; 62 ;
  • Route3
    • null|null
      78647-28-6
    • ~71%
    • In-stock
      Methyl 3-oxotetrahydrothiophene-2-carboxylate|CS-W014330
      2689-69-2

    References

    • Yamada, Yasuji; Ishii, Toshihide; Kimura, Masayuki; Hosaka, Kunio Tetrahedron Letters, 1981 , vol. 22, # 14 p. 1353 - 1354

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.234
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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