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CS-W001157 4
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Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate

  • CAS No. 1080026-94-3

  • Cat. No. CS-W022678
  • Purity≥95%
  • MDL No.MFCD10566074

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

Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-W022678

Structure of 1080026-94-3

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General Information

  • CAS No. 1080026-94-3
  • Cat. No. CS-W022678
  • Purity ≥95%
  • MDL No. MFCD10566074
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂S
  • Molecular Weight 211.28
  • Synonym(s) Thieno[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester
  • SMILES S1C2=C(C=C1C(=O)OCC)CNCC2

Synthesis

  • Route1
    • Ethyl 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-0054699
      623564-30-7
    • ~81%
    • Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-W022678
      1080026-94-3

    References

    • Blackburn, Christopher; Barrett, Cynthia; Chin, Janice; Garcia, Kris; Gigstad, Kenneth; Gould, Alexandra; Gutierrez, Juan; Harrison, Sean; Hoar, Kara; Lynch, Chrissie; Rowland, R. Scott; Tsu, Chris; Ringeling, John; Xu, He Journal of Medicinal Chemistry, 2013 , vol. 56, # 18 p. 7201 - 7211
  • Route2
    • null|null
      885275-20-7
    • ~%
    • Ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-W022678
      1080026-94-3

    References

    • WO2012/117421 A1, ; WO 2012/117421 A1

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   38.33
  • LogP   1.5705
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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