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CS-W001157 4
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2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine

  • CAS No. 918538-05-3

  • Cat. No. CS-D0127
  • Purity≥97%
  • MDL No.MFCD11044885

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

2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine|CS-D0127

Structure of 918538-05-3

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General Information

  • CAS No. 918538-05-3
  • Cat. No. CS-D0127
  • Purity ≥97%
  • MDL No. MFCD11044885
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃Cl₂N₃
  • Molecular Weight 188.01
  • Synonym(s) 4-Dichloropyrrolo[1
  • SMILES ClC1=NC(Cl)=NN2C1=CC=C2

Description

2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine is a chlorinated heterocyclic scaffold featuring a fused triazine core with strategic substitution at the 2- and 4-positions. This electron-deficient architecture enables efficient coupling in cross-coupling transformations and serves as a key building block in medicinal chemistry for targeted kinase inhibition. The molecule exhibits enhanced stability under standard conditions and facilitates direct functionalization at the pyrrole ring.

Application

2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine serves as a versatile building block in medicinal chemistry, enabling efficient construction of nitrogen-rich heterocyclic scaffolds. The dichloro substituents facilitate direct nucleophilic substitution reactions under mild conditions, allowing rapid diversification at C2 and C4 positions. Its stability under standard reaction conditions and compatibility with common functional groups make it ideal for parallel synthesis campaigns targeting kinase inhibitors and other bioactive compounds.

Synthesis

  • Route1
    • Pyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione|CS-0000093
      918538-04-2
    • ~83%
    • In-stock
      2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine|CS-D0127
      918538-05-3

    References

    • Bristol-Myers Squibb Company Patent: US2008/9497 A1, 2008 ; Location in patent: Page/Page column 18 ; US 20080009497 A1
  • Route2
    • Ethyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate|CS-0594860
      1379337-32-2
    • ~%
    • In-stock
      2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine|CS-D0127
      918538-05-3

    References

    • US2008/9497 A1, ; US 20080009497 A1
  • Route3

    References

    • US2008/9497 A1, ; US 20080009497 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   30.19
  • LogP   2.0361
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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