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CS-W001157 4
Total: USD 88.00

7-(tert-Butyl)-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

  • CAS No. 252977-54-1

  • Cat. No. CS-W020468
  • Molecule weight304.75
  • Purity95+%
  • MDL No.MFCD23136014

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

7-(tert-Butyl)-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine|CS-W020468

Structure of 252977-54-1

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General Information

  • CAS No. 252977-54-1
  • Cat. No. CS-W020468
  • Purity 95+%
  • MDL No. MFCD23136014
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄ClFN₄
  • Molecular Weight 304.75
  • Synonym(s) 7-Tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
  • SMILES CC(C)(C)c1cc2nnc(-c3ccccc3F)n2nc1Cl

Synthesis

  • Route1

    References

    • Merck Sharp and Dohme Ltd. Patent: US6630471 B1, 2003 ;
  • Route2
    • 4-(Tert-butyl)-3-chloro-6-hydrazinylpyridazine|CS-0569975
      252977-55-2
    • null|null
      393-52-2
    • ~69%
    • 7-(tert-Butyl)-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine|CS-W020468
      252977-54-1

    References

    • Merck Sharp and Dohme Ltd. Patent: US6630471 B1, 2003 ;
  • Route3

    References

    • Carling, Robert W.; Madin, Andrew; Guiblin, Alec; Russell, Michael G. N.; Moore, Kevin W.; Mitchinson, Andrew; Sohal, Bindi; Pike, Andrew; Cook, Susan M.; Ragan, Ian C.; McKernan, Ruth M.; Quirk, Kathleen; Ferris, Pushpinder; Marshall, George; Thompson, Sally Ann; Wafford, Keith A.; Dawson, Gerard R.; Atack, John R.; Harrison, Timothy; Castro, Jose L.; Street, Leslie J. Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7089 - 7092

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.08
  • LogP   3.8813
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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