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CS-W001157 4
Total: USD 88.00

Ethyl 3-amino-3-oxopropanoate Tofacitinib Impurity

  • CAS No. 7597-56-0

  • Cat. No. CS-0167588
  • Purity≥97%
  • MDL No.MFCD00043150

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

Ethyl 3-amino-3-oxopropanoate Tofacitinib Impurity|CS-0167588

Structure of 7597-56-0

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General Information

  • CAS No. 7597-56-0
  • Cat. No. CS-0167588
  • Purity ≥97%
  • MDL No. MFCD00043150
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₃
  • Molecular Weight 131.13
  • Synonym(s) PROPANOIC ACID, 3-AMINO-3-OXO-, ETHYL ESTER
  • SMILES O=C(CC(N)=O)OCC

Synthesis

  • Route1
    • null|null
      105-56-6
    • ~99%
    • Ethyl 3-amino-3-oxopropanoate Tofacitinib Impurity|CS-0167588
      7597-56-0

    References

    • Kiss, Arpad; Hell, Zoltan Tetrahedron Letters, 2011 , vol. 52, # 45 p. 6021 - 6023
  • Route2
    • In-stock
      2-Methyl-1-phenylpropan-2-ol|CS-W016322
      100-86-7
    • null|null
      105-56-6
    • ~0%
    • Ethyl 3-amino-3-oxopropanoate Tofacitinib Impurity|CS-0167588
      7597-56-0
    • null|null
      132067-89-1

    References

    • Aleksandrov, B. B.; Gavrilov, M. S.; Vakhrin, M. I.; Shklyaev, V. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1985 , vol. 21, # 6 p. 662 - 665 Khimiya Geterotsiklicheskikh Soedinenii, 1985 , vol. 21, # 6 p. 794 - 797
  • Route3

    References

    • Chemische Berichte, , vol. 95, p. 281 - 294

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   69.39
  • LogP   -0.5751
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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