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CS-W001157 4
Total: USD 88.00

Trelagliptin impurity 1

  • CAS No. 196811-90-2

  • Cat. No. CS-W021397
  • Purity≥97%
  • MDL No.MFCD08276850

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

Trelagliptin impurity 1|CS-W021397

Structure of 196811-90-2

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General Information

  • CAS No. 196811-90-2
  • Cat. No. CS-W021397
  • Purity ≥97%
  • MDL No. MFCD08276850
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉F₃O₂
  • Molecular Weight 206.16
  • Synonym(s) None
  • SMILES FC(F)(F)OC1=CC=C(CCO)C=C1

Description

2-(4-(Trifluoromethoxy)phenyl)ethanol features a trifluoromethoxy-substituted phenyl ring linked to a primary alcohol via an ethylene tether. This configuration imparts enhanced lipophilicity and metabolic stability, making it a valuable scaffold in medicinal chemistry. The terminal hydroxyl group enables straightforward derivatization for conjugation or functionalization in synthetic pathways.

Synthesis

  • Route1

    References

    • WO2010/81904 A1, ; Page/Page column 51 ;
  • Route2
    • null|null
      75-21-8
    • In-stock
      1-Bromo-4-(trifluoromethoxy)benzene|CS-W010286
      407-14-7
    • ~69%
    • In-stock
      Trelagliptin impurity 1|CS-W021397
      196811-90-2

    References

    • Castagnetti, Eva; Schlosser, Manfred European Journal of Organic Chemistry, 2001 , # 4 p. 691 - 695
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 134, # 30 p. 12466 - 12469

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   29.46
  • LogP   2.12
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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