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CS-W001157 4
Total: USD 88.00

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione Sitagliptin Impurity

  • CAS No. 764667-65-4

  • Cat. No. CS-0165427
  • Molecule weight406.28
  • Purity≥98%
  • MDL No.MFCD11111443

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

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione  Sitagliptin Impurity|CS-0165427

Structure of 764667-65-4

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General Information

  • CAS No. 764667-65-4
  • Cat. No. CS-0165427
  • Purity ≥98%
  • MDL No. MFCD11111443
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂F₆N₄O₂
  • Molecular Weight 406.28
  • Synonym(s) None
  • SMILES O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)CC(CC3=CC(F)=C(F)C=C3F)=O

Synthesis

  • Route1

    References

    • WO2012/63085 A2, ; Page/Page column 109 ; WO 2012/063085 A2
  • Route2

    References

    • Xu, Feng; Armstrong III, Joseph D.; Zhou, George X.; Simmons, Bryon; Hughes, David; Ge, Zhihong; Grabowski, Edward J. J. Journal of the American Chemical Society, 2004 , vol. 126, # 40 p. 13002 - 13009
  • Route3

    References

    • US2011/213149 A1, ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   68.09
  • LogP   2.2583
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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