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CS-W001157 4
Total: USD 88.00

Hydroxydithiophen-2-ylacetic acid ethyl ester

  • CAS No. 28569-88-2

  • Cat. No. CS-D1296
  • Molecule weight268.35
  • Purity≥97%
  • MDL No.MFCD26406738

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

Hydroxydithiophen-2-ylacetic acid ethyl ester|CS-D1296

Structure of 28569-88-2

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General Information

  • CAS No. 28569-88-2
  • Cat. No. CS-D1296
  • Purity ≥97%
  • MDL No. MFCD26406738
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₃S₂
  • Molecular Weight 268.35
  • Synonym(s) Ethyl 2-hydroxy-2,2-DI(thiophen-2-YL)acetate
  • SMILES O=C(OCC)C(C1=CC=CS1)(O)C2=CC=CS2

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ARGENTA DISCOVERY Ltd. Patent: WO2009/139710 A1, 2009 ; Location in patent: Page/Page column 36 ; WO 2009/139710 A1
  • Route2

    References

    • Leonard; Ehrenthal Journal of the American Chemical Society, 1951 , vol. 73, p. 2216
  • Route3

    References

    • Jeffries, Alfred T.; Moore, Kenneth C.; Ondeyka, Debra M.; Springsteen, Arthur W.; MacDowell, Denis W.H. Journal of Organic Chemistry, 1981 , vol. 46, # 14 p. 2885 - 2889

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

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.6086
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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