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CS-W001157 4
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1-Tert-butyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

  • CAS No. 142818-02-8

  • Cat. No. CS-0248872
  • Purity≥95%
  • MDL No.None

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

1-Tert-butyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0248872

Structure of 142818-02-8

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General Information

  • CAS No. 142818-02-8
  • Cat. No. CS-0248872
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁F₃N₂O₂
  • Molecular Weight 236.19
  • Synonym(s) 1-(tert-Butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • SMILES CC(C)(C)N1C(=C(C=N1)C(=O)O)C(F)(F)F

Synthesis

  • Route1
    • Ethyl 1-(tert-butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0326260
      852691-03-3
    • ~81%
    • 1-Tert-butyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0248872
      142818-02-8

    References

    • Anderson, Kevin William; Fotouhi, Nader; Gillespie, Paul; Goodnow, Robert Alan; Guertin, Kevin Richard; Haynes, Nancy-Ellen; Myers, Michael Paul; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Rossman, Pamela Loreen; Scott, Nathan Robert; Thakkar, Kshitij Chhabilbhai; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2007/225280 A1, 2007 ; Location in patent: Page/Page column 18; 34 ; US 20070225280 A1
  • Route2
    • null|null
      142809-83-4
    • ~85%
    • 1-Tert-butyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0248872
      142818-02-8

    References

    • Okada, Etsuji; Masuda, Ryoichi; Hojo, Masaru Heterocycles, 1992 , vol. 34, # 4 p. 791 - 798
  • Route3
    • null|null
      142503-29-5
    • ~%
    • 1-Tert-butyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0248872
      142818-02-8

    References

    • Heterocycles, , vol. 34, # 4 p. 791 - 798

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-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.3551
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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