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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 658084-80-1

  • Cat. No. CS-0183657
  • Molecule weight267.71
  • Purity95+%
  • MDL No.None

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

Ethyl 4-chloro-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0183657

Structure of 658084-80-1

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General Information

  • CAS No. 658084-80-1
  • Cat. No. CS-0183657
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄ClN₃O₂
  • Molecular Weight 267.71
  • Synonym(s) Ethyl 4-chloro-5-isopropylpyrrolo[2,1-F][1,2,4]triazine-6-carboxylate
  • SMILES CCOC(=O)C1=CN2C(=C1C(C)C)C(=NC=N2)Cl

Synthesis

  • Route1
    • Ethyl 4-oxo-5-(propan-2-yl)-3H,4H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0049452
      651744-40-0
    • ~87%
    • Ethyl 4-chloro-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0183657
      658084-80-1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2004/13145 A1, 2004 ; Location in patent: Page 30 ; WO 2004/013145 A1
  • Route2
    • Diethyl 1-Amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate|CS-0768463
      651744-39-7
    • ~%
    • Ethyl 4-chloro-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0183657
      658084-80-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 21 p. 4774 - 4779
  • Route3
    • null|null
      2999-46-4
    • ~%
    • Ethyl 4-chloro-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate|CS-0183657
      658084-80-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   56.49
  • LogP   2.6828
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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