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CS-W001157 4
Total: USD 88.00

Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

  • CAS No. 651744-40-0

  • Cat. No. CS-0049452
  • Molecule weight249.27
  • Purity98+%
  • MDL No.None

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

Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049452

Structure of 651744-40-0

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General Information

  • CAS No. 651744-40-0
  • Cat. No. CS-0049452
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N₃O₃
  • Molecular Weight 249.27
  • Synonym(s) ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
  • SMILES CCOC(=O)C1=CN2N=CNC(=O)C2=C1C(C)C

Synthesis

  • Route1
    • Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate|CS-0054678
      651744-38-6
    • ~%
    • Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049452
      651744-40-0

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 21 p. 4774 - 4779
  • Route2
    • null|null
      104398-21-2
    • ~%
    • Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049452
      651744-40-0

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 5 p. 1429 - 1433
  • Route3
    • Diethyl 1-Amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate|CS-0768463
      651744-39-7
    • null|null
      77287-34-4
    • ~92%
    • Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049452
      651744-40-0

    References

    • Borzilleri, Robert M.; Zheng, Xiaoping; Qian, Ligang; Ellis, Christopher; Cai, Zhen-Wei; Wautlet, Barri S.; Mortillo, Steve; Jeyaseelan Sr., Robert; Kukral, Daniel W.; Fura, Aberra; Kamath, Amrita; Vyas, Viral; Tokarski, John S.; Barrish, Joel C.; Hunt, John T.; Lombardo, Louis J.; Fargnoli, Joseph; Bhide, Rajeev S. Journal of Medicinal Chemistry, 2005 , vol. 48, # 12 p. 3991 - 4008

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.46
  • LogP   1.3227
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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