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CS-W001157 4
Total: USD 88.00

Ethyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

  • CAS No. 869067-01-6

  • Cat. No. CS-0012651
  • Molecule weight207.19
  • Purity≥97%
  • MDL No.MFCD11977144

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

Ethyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0012651

Structure of 869067-01-6

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General Information

  • CAS No. 869067-01-6
  • Cat. No. CS-0012651
  • Purity ≥97%
  • MDL No. MFCD11977144
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₃
  • Molecular Weight 207.19
  • Synonym(s) Ethyl 4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
  • SMILES O=C(OCC)C1=CN2C(C(N=CN2)=O)=C1

Synthesis

  • Route1
    • Diethyl 1-amino-1H-pyrrole-2,4-dicarboxylate|CS-0897934
      869066-99-9
    • null|null
      77287-34-4
    • ~86%
    • Ethyl 4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0012651
      869067-01-6

    References

    • Fink, Brian E.; Vite, Gregory D.; Mastalerz, Harold; Kadow, John F.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Du, Karen; Crews, Donald; Mitt, Toomas; Wong, Tai W.; Hunt, John T.; Vyas, Dolatrai M.; Tokarski, John S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 21 p. 4774 - 4779
  • Route2

    References

    • Fink, Brian E.; Vite, Gregory D.; Mastalerz, Harold; Kadow, John F.; Kim, Soong-Hoon; Leavitt, Kenneth J.; Du, Karen; Crews, Donald; Mitt, Toomas; Wong, Tai W.; Hunt, John T.; Vyas, Dolatrai M.; Tokarski, John S. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 21 p. 4774 - 4779

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   76.46
  • LogP   0.1993
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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