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CS-W001157 4
Total: USD 88.00

2,4-Dichloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

  • CAS No. 129872-81-7

  • Cat. No. CS-W021507
  • Molecule weight202.04
  • Purity≥97%
  • MDL No.None

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

2,4-Dichloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine|CS-W021507

Structure of 129872-81-7

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General Information

  • CAS No. 129872-81-7
  • Cat. No. CS-W021507
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅Cl₂N₃
  • Molecular Weight 202.04
  • Synonym(s) None
  • SMILES CN1C=CC2=NC(Cl)=NC(Cl)=C12

Description

2,4-Dichloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, featuring a sterically hindered core with electron-deficient character. This platform integrates readily into kinase inhibitor designs and offers enhanced metabolic stability due to its fused ring system and chlorine substitutions.

Application

2,4-Dichloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine serves as a versatile building block for the synthesis of purine-based heterocycles and kinase inhibitor scaffolds. Its dichloro substitution pattern enables selective nucleophilic displacement reactions, facilitating the construction of diverse functionalized pyrrolopyrimidines. The methyl group enhances stability and modulates electronic properties, while the scaffold exhibits excellent bench stability and compatibility with standard coupling protocols.

Synthesis

  • Route1
    • In-stock
      2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine|CS-W003450
      63200-54-4
    • null|null
      74-88-4
    • ~%
    • In-stock
      2,4-Dichloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine|CS-W021507
      129872-81-7

    References

    • Journal of Medicinal Chemistry, , vol. 33, # 10 p. 2750 - 2755
  • Route2

    References

    • WO2012/82997 A1, ; Page/Page column 85 ; WO 2012/082997 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   30.71
  • LogP   2.2751
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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