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CS-W001157 4
Total: USD 88.00

3-(3-(Trifluoromethyl)phenyl)propanoic acid Cinacalcet Impurity

  • CAS No. 585-50-2

  • Cat. No. CS-0214029
  • Purity≥97%
  • MDL No.MFCD00090487

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

3-(3-(Trifluoromethyl)phenyl)propanoic acid Cinacalcet Impurity|CS-0214029

Structure of 585-50-2

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General Information

  • CAS No. 585-50-2
  • Cat. No. CS-0214029
  • Purity ≥97%
  • MDL No. MFCD00090487
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.17
  • Synonym(s) Benzenepropanoic acid, 3-(trifluoromethyl)-
  • SMILES O=C(O)CCC1=CC=CC(C(F)(F)F)=C1

Synthesis

  • Route1
    • 3-(Trifluoromethyl)cinnamic acid Cinacalcet Impurity|CS-0214020
      779-89-5
    • ~99%
    • 3-(3-(Trifluoromethyl)phenyl)propanoic acid Cinacalcet Impurity|CS-0214029
      585-50-2

    References

    • Thiel, Oliver R.; Bernard, Charles; Tormos, Wanda; Brewin, Alan; Hirotani, Shuji; Murakami, Kazuo; Saito, Kenji; Larsen, Robert D.; Martinelli, Michael J.; Reider, Paul J. Tetrahedron Letters, 2008 , vol. 49, # 1 p. 13 - 15
  • Route2

    References

    • Lemhadri, Mhamed; Doucet, Henri; Santelli, Maurice Tetrahedron, 2004 , vol. 60, # 50 p. 11533 - 11540
  • Route3
    • 3-(3'-Trifluoromethylphenyl)propionic acid methyl ester|CS-B1547
      294856-02-3
    • ~%
    • 3-(3-(Trifluoromethyl)phenyl)propanoic acid Cinacalcet Impurity|CS-0214029
      585-50-2

    References

    • WO2008/35381 A2, ; Page/Page column 25 ;

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7226
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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