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CS-W001157 4
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Tert-butyl 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate

  • CAS No. 877402-43-2

  • Cat. No. CS-0545317
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate|CS-0545317

Structure of 877402-43-2

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General Information

  • CAS No. 877402-43-2
  • Cat. No. CS-0545317
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅F₃N₄O₂
  • Molecular Weight 292.26
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)N1CCN2C(=NN=C2C(F)(F)F)C1

Synthesis

  • Route1

    References

    • Kim, Dooseop; Kowalchick, Jennifer E.; Brockunier, Linda L.; Parmee, Emma R.; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Leiting, Barbara; Lyons, Kathryn; Scapin, Giovanna; Patel, Sangita B.; Petrov, Aleksandr; Pryor, Kelly Ann D.; Roy, Ranabir Sinha; Wu, Joseph K.; Zhang, Xiaoping; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 589 - 602

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   60.25
  • LogP   2.0476
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   0

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