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CS-W001157 4
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1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

  • CAS No. 1082065-80-2

  • Cat. No. CS-0440538
  • Purity≥98%
  • MDL No.None

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

1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde|CS-0440538

Structure of 1082065-80-2

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General Information

  • CAS No. 1082065-80-2
  • Cat. No. CS-0440538
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₃N₂O
  • Molecular Weight 192.14
  • Synonym(s) 4-Formyl-1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
  • SMILES CC1=C(C=O)C(=NN1C)C(F)(F)F

Synthesis

  • Route1
    • 4-Bromo-1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole|CS-0145705
      721402-02-4
    • null|null
      68-12-2
    • ~33%
    • 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde|CS-0440538
      1082065-80-2

    References

    • ELI LILLY AND COMPANY Patent: WO2008/141020 A1, 2008 ; Location in patent: Page/Page column 52 ; WO 2008/141020 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.55982
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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