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CS-W001157 4
Total: USD 88.00

Methyl 5-methyl-4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

  • CAS No. 310431-29-9

  • Cat. No. CS-0048970
  • Molecule weight207.19
  • Purity≥97%
  • MDL No.None

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

Methyl 5-methyl-4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0048970

Structure of 310431-29-9

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General Information

  • CAS No. 310431-29-9
  • Cat. No. CS-0048970
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₃
  • Molecular Weight 207.19
  • Synonym(s) Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
  • SMILES COC(=O)C1=CN2N=CNC(=O)C2=C1C

Synthesis

  • Route1
    • Dimethyl 1-amino-3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-0606034
      310431-26-6
    • null|null
      77287-34-4
    • ~87%
    • Methyl 5-methyl-4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0048970
      310431-29-9

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 33 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 5 p. 1429 - 1433
  • Route3
    • Dimethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-0054288
      3780-42-5
    • ~%
    • Methyl 5-methyl-4-oxo-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0048970
      310431-29-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 5 p. 1429 - 1433

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.46
  • LogP   0.11762
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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