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CS-W001157 4
Total: USD 88.00

2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine

  • CAS No. 1053228-29-7

  • Cat. No. CS-W021505
  • Purity≥96%
  • MDL No.MFCD16249867

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

2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine|CS-W021505

Structure of 1053228-29-7

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General Information

  • CAS No. 1053228-29-7
  • Cat. No. CS-W021505
  • Purity ≥96%
  • MDL No. MFCD16249867
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₂FN₃
  • Molecular Weight 206.01
  • Synonym(s) 2,6-dichloro-7-fluoro-7-deaza-9H-purine
  • SMILES FC1=CNC2=C1C(Cl)=NC(Cl)=N2

Synthesis

  • Route1
    • 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213948
      90213-66-4
    • ~%
    • In-stock
      2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine|CS-W021505
      1053228-29-7

    References

    • ARIAD PHARMACEUTICALS, INC.; DALGARNO, David, C.; HUANG, Wei-sheng; SHAKESPEARE, William, C.; WANG, Yihan; ZHU, Xiaotian Patent: WO2012/151561 A1, 2012 ; Location in patent: Page/Page column 58 ; WO 2012/151561 A1
  • Route2
    • 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine Tofacitinib Impurity|CS-0213948
      90213-66-4
    • ~41%
    • In-stock
      2,4-Dichloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine|CS-W021505
      1053228-29-7
    • In-stock
      2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine|CS-W003858
      1053228-28-6

    References

    • Seela, Frank; Xu, Kuiying Helvetica Chimica Acta, 2008 , vol. 91, # 6 p. 1083 - 1105

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

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   2.4038
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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