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CS-W001157 4
Total: USD 88.00

4-Methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid

  • CAS No. 144059-85-8

  • Cat. No. CS-0328718
  • Purity95+%
  • MDL No.None

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

4-Methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid|CS-0328718

Structure of 144059-85-8

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General Information

  • CAS No. 144059-85-8
  • Cat. No. CS-0328718
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈F₃NO₂S
  • Molecular Weight 287.26
  • Synonym(s) 4-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
  • SMILES CC1=C(C(=O)O)SC(=N1)C2=CC(=CC=C2)C(F)(F)F

Synthesis

  • Route1
    • Ethyl 4-methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylate|CS-0313701
      144061-14-3
    • ~83%
    • 4-Methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid|CS-0328718
      144059-85-8

    References

    • Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695
  • Route2

    References

    • Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695
  • Route3
    • 3-(Trifluoromethyl)benzothioamide|CS-0453365
      53515-17-6
    • ~%
    • 4-Methyl-2-(3-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid|CS-0328718
      144059-85-8

    References

    • Sierra, Michael L.; Beneton, Veronique; Boullay, Anne-Benedict; Boyer, Thierry; Brewster, Andrew G.; Donche, Frederic; Forest, Marie-Claire; Fouchet, Marie-Helene; Gellibert, Francoise J.; Grillot, Didier A.; Lambert, Millard H.; Laroze, Alain; Le Grumelec, Christelle; Linget, Jean Michel; Montana, Valerie G.; Nguyen, Van-Loc; Nicodeme, Edwige; Patel, Vipul; Penfornis, Annie; Pineau, Olivier; Pohin, Danig; Potvain, Florent; Poulain, Geraldine; Ruault, Cecile Bertho; Saunders, Michael; Toum, Jerome; Xu, H. Eric; Xu, Robert X.; Pianetti, Pascal M. Journal of Medicinal Chemistry, 2007 , vol. 50, # 4 p. 685 - 695

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   3.83552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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