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CS-W001157 4
Total: USD 88.00

4-Chloropyrrolo[2,1-f][1,2,4]triazine

  • CAS No. 888720-29-4

  • Cat. No. CS-0006624
  • Purity≥97%
  • MDL No.MFCD11519387

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

4-Chloropyrrolo[2,1-f][1,2,4]triazine|CS-0006624

Structure of 888720-29-4

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General Information

  • CAS No. 888720-29-4
  • Cat. No. CS-0006624
  • Purity ≥97%
  • MDL No. MFCD11519387
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃
  • Molecular Weight 153.57
  • Synonym(s) 4-chloropyrrolo[1,2-f][1,2,4]triazine
  • SMILES ClC1=NC=NN2C1=CC=C2

Description

4-Chloropyrrolo[2,1-f][1,2,4]triazine delivers a reactive chloro handle within a fused heterocyclic framework, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. This electron-deficient scaffold integrates seamlessly into bioactive molecule design, offering enhanced stability and predictable reactivity under standard conditions.

Application

4-Chloropyrrolo[2,1-f][1,2,4]triazine serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. The chlorine substituent enables facile nucleophilic substitution, facilitating the installation of diverse side chains via standard coupling protocols. Its rigid, planar structure enhances π-stacking interactions in target binding, while excellent bench stability supports reliable handling and purification in multi-step syntheses.

Synthesis

  • Route1

    References

    • NEOPHARM CO., LTD. Patent: US2011/183983 A1, 2011 ; Location in patent: Page/Page column 32 ;
  • Route2

    References

    • WO2011/150356 A1, ; WO 2011/150356 A1
  • Route3

    References

    • WO2011/150356 A1, ; WO 2011/150356 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   1.3827
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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